USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1134 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 126 ASNHD21 : A 126 ASN ND2 : A 161 NAG C1 :(H bumps) USER MOD Set 1.1: A 146 GLN : amide:sc= -6.9! C(o=-20!,f=-20!) USER MOD Set 1.2: A 147 ASN : amide:sc= -13.2! C(o=-20!,f=-28!) USER MOD Set 2.1: A 98 THR OG1 : rot 177:sc= -6.52! USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 51 SER OG : rot 124:sc= 1.79 USER MOD Set 3.2: A 84 THR OG1 : rot -149:sc= -5.05! USER MOD Set 3.3: A 95 SER OG : rot -177:sc= -8.79! USER MOD Set 4.1: A 88 TYR OH : rot -59:sc= 1.09 USER MOD Set 4.2: A 92 GLN : amide:sc= -2.34! C(o=-1.3!,f=-1.3!) USER MOD Set 5.1: A 86 SER OG : rot 180:sc= -0.964! USER MOD Set 5.2: A 87 ASN : amide:sc= -0.121 X(o=-1.1,f=-1.1) USER MOD Set 6.1: A 61 THR OG1 : rot -133:sc= 0.864 USER MOD Set 6.2: A 66 THR OG1 : rot 180:sc= 1.03 USER MOD Set 7.1: A 47 TYR OH : rot 110:sc= -4.21! USER MOD Set 7.2: A 79 HIS : no HD1:sc= -2.76! C(o=-7!,f=-12!) USER MOD Set 8.1: A 13 SER OG : rot 180:sc= -0.576 USER MOD Set 8.2: A 16 MET CE :methyl 148:sc= -4.84! (180deg=-0.105) USER MOD Set 8.3: A 111 SER OG : rot 26:sc= -7.55! USER MOD Set 8.4: A 144 THR OG1 : rot -165:sc= -4.53! USER MOD Set 9.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 9.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR N :NH3+ 170:sc= 0.873 (180deg=0.756) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= -19! C(o=-19!,f=-18!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 1:sc= -3.46! USER MOD Single : A 17 GLN : amide:sc= -5.28! C(o=-5.3!,f=-5.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.26) USER MOD Single : A 24 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.29) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.221) USER MOD Single : A 26 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.015) USER MOD Single : A 27 MET CE :methyl -107:sc= -3.13 (180deg=-6.99!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 34 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.12) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00317 USER MOD Single : A 39 GLN : amide:sc= -1.87! K(o=-1.9!,f=-1.2) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0614 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -5.71! C(o=-5.7!,f=-4.7!) USER MOD Single : A 46 THR OG1 : rot -178:sc= 0.533 USER MOD Single : A 50 ASN : amide:sc= -4.4! C(o=-4.4!,f=-2.7!) USER MOD Single : A 52 ASN : amide:sc= -1.07! C(o=-1.1!,f=-1.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -6.51! C(o=-6.5!,f=-6.2!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -152:sc= 0.39 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.236 X(o=0.24,f=0) USER MOD Single : A 83 SER OG : rot -30:sc= -1.4! USER MOD Single : A 85 THR OG1 : rot 90:sc= -4.85! USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.18) USER MOD Single : A 105 GLN : amide:sc= -0.0767 K(o=-0.077,f=-0.77) USER MOD Single : A 106 THR OG1 : rot -43:sc= 0.559 USER MOD Single : A 110 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.19) USER MOD Single : A 112 ASN : amide:sc= -0.0173 K(o=-0.017,f=-0.73) USER MOD Single : A 117 HIS : no HD1:sc= -3.06! K(o=-3.1!,f=-1.2) USER MOD Single : A 122 TYR OH : rot 30:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0.235 X(o=0.23,f=0) USER MOD Single : A 124 ASN : amide:sc= -7.45! C(o=-7.5!,f=-7.8!) USER MOD Single : A 125 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.088) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 69:sc= 1.03 USER MOD Single : A 131 THR OG1 : rot 137:sc= -0.164 USER MOD Single : A 132 SER OG : rot 150:sc= -4.46! USER MOD Single : A 138 ASN : amide:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 139 MET CE :methyl -116:sc= -13.7! (180deg=-21.4!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 140:sc= -0.271 USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.0044 X(o=-0.0044,f=-0.43) USER MOD Single : A 153 LYS NZ :NH3+ 160:sc= -3.04! (180deg=-3.17) USER MOD Single : A 159 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 161 NAG O3 : rot 157:sc= 0.0308 USER MOD Single : A 161 NAG O4 : rot 170:sc= 0.0233 USER MOD Single : A 161 NAG O6 : rot 180:sc= -0.0807 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 7.151 -2.122 23.522 1.00 0.00 N ATOM 2 CA TYR A 1 7.768 -0.832 23.115 1.00 0.00 C ATOM 3 C TYR A 1 8.017 -0.791 21.611 1.00 0.00 C ATOM 4 O TYR A 1 7.312 -0.101 20.875 1.00 0.00 O ATOM 5 CB TYR A 1 9.086 -0.663 23.873 1.00 0.00 C ATOM 6 CG TYR A 1 8.943 -0.792 25.373 1.00 0.00 C ATOM 7 CD1 TYR A 1 7.731 -0.531 26.000 1.00 0.00 C ATOM 8 CD2 TYR A 1 10.022 -1.173 26.162 1.00 0.00 C ATOM 9 CE1 TYR A 1 7.598 -0.648 27.370 1.00 0.00 C ATOM 10 CE2 TYR A 1 9.896 -1.292 27.533 1.00 0.00 C ATOM 11 CZ TYR A 1 8.683 -1.029 28.132 1.00 0.00 C ATOM 12 OH TYR A 1 8.553 -1.146 29.496 1.00 0.00 O ATOM 0 H1 TYR A 1 7.148 -2.193 24.560 1.00 0.00 H new ATOM 0 H2 TYR A 1 6.174 -2.166 23.169 1.00 0.00 H new ATOM 0 H3 TYR A 1 7.699 -2.910 23.123 1.00 0.00 H new ATOM 0 HA TYR A 1 7.087 -0.016 23.357 1.00 0.00 H new ATOM 0 HB2 TYR A 1 9.797 -1.409 23.519 1.00 0.00 H new ATOM 0 HB3 TYR A 1 9.507 0.315 23.639 1.00 0.00 H new ATOM 0 HD1 TYR A 1 6.879 -0.232 25.407 1.00 0.00 H new ATOM 0 HD2 TYR A 1 10.974 -1.379 25.696 1.00 0.00 H new ATOM 0 HE1 TYR A 1 6.649 -0.442 27.842 1.00 0.00 H new ATOM 0 HE2 TYR A 1 10.744 -1.590 28.132 1.00 0.00 H new ATOM 0 HH TYR A 1 9.409 -1.424 29.884 1.00 0.00 H new ATOM 24 N GLY A 2 9.024 -1.534 21.162 1.00 0.00 N ATOM 25 CA GLY A 2 9.346 -1.567 19.748 1.00 0.00 C ATOM 26 C GLY A 2 8.207 -2.105 18.905 1.00 0.00 C ATOM 27 O GLY A 2 7.401 -1.339 18.376 1.00 0.00 O ATOM 0 H GLY A 2 9.622 -2.113 21.752 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.598 -0.561 19.413 1.00 0.00 H new ATOM 0 HA3 GLY A 2 10.231 -2.185 19.595 1.00 0.00 H new ATOM 31 N HIS A 3 8.141 -3.426 18.780 1.00 0.00 N ATOM 32 CA HIS A 3 7.092 -4.067 17.994 1.00 0.00 C ATOM 33 C HIS A 3 5.740 -3.409 18.247 1.00 0.00 C ATOM 34 O HIS A 3 5.595 -2.594 19.158 1.00 0.00 O ATOM 35 CB HIS A 3 7.012 -5.558 18.327 1.00 0.00 C ATOM 36 CG HIS A 3 7.267 -6.446 17.151 1.00 0.00 C ATOM 37 ND1 HIS A 3 8.508 -6.968 16.854 1.00 0.00 N ATOM 38 CD2 HIS A 3 6.428 -6.906 16.194 1.00 0.00 C ATOM 39 CE1 HIS A 3 8.422 -7.710 15.765 1.00 0.00 C ATOM 40 NE2 HIS A 3 7.171 -7.689 15.344 1.00 0.00 N ATOM 0 H HIS A 3 8.800 -4.073 19.212 1.00 0.00 H new ATOM 0 HA HIS A 3 7.343 -3.948 16.940 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.736 -5.787 19.109 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.025 -5.779 18.732 1.00 0.00 H new ATOM 0 HD1 HIS A 3 9.360 -6.806 17.392 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.372 -6.697 16.113 1.00 0.00 H new ATOM 0 HE1 HIS A 3 9.237 -8.243 15.298 1.00 0.00 H new ATOM 49 N CYS A 4 4.753 -3.772 17.435 1.00 0.00 N ATOM 50 CA CYS A 4 3.411 -3.220 17.569 1.00 0.00 C ATOM 51 C CYS A 4 2.367 -4.332 17.584 1.00 0.00 C ATOM 52 O CYS A 4 1.812 -4.692 16.545 1.00 0.00 O ATOM 53 CB CYS A 4 3.119 -2.245 16.427 1.00 0.00 C ATOM 54 SG CYS A 4 4.185 -0.768 16.422 1.00 0.00 S ATOM 0 H CYS A 4 4.858 -4.446 16.677 1.00 0.00 H new ATOM 0 HA CYS A 4 3.359 -2.682 18.516 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.236 -2.768 15.478 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.078 -1.929 16.490 1.00 0.00 H new ATOM 59 N VAL A 5 2.108 -4.875 18.769 1.00 0.00 N ATOM 60 CA VAL A 5 1.140 -5.945 18.925 1.00 0.00 C ATOM 61 C VAL A 5 -0.280 -5.394 19.010 1.00 0.00 C ATOM 62 O VAL A 5 -0.565 -4.506 19.814 1.00 0.00 O ATOM 63 CB VAL A 5 1.442 -6.774 20.184 1.00 0.00 C ATOM 64 CG1 VAL A 5 2.871 -7.300 20.145 1.00 0.00 C ATOM 65 CG2 VAL A 5 1.201 -5.949 21.438 1.00 0.00 C ATOM 0 H VAL A 5 2.560 -4.587 19.637 1.00 0.00 H new ATOM 0 HA VAL A 5 1.217 -6.585 18.046 1.00 0.00 H new ATOM 0 HB VAL A 5 0.766 -7.628 20.207 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.068 -7.885 21.044 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.003 -7.931 19.266 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.566 -6.462 20.098 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.420 -6.553 22.319 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.850 -5.073 21.428 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.160 -5.628 21.468 1.00 0.00 H new ATOM 75 N THR A 6 -1.165 -5.922 18.171 1.00 0.00 N ATOM 76 CA THR A 6 -2.555 -5.478 18.146 1.00 0.00 C ATOM 77 C THR A 6 -3.501 -6.577 18.614 1.00 0.00 C ATOM 78 O THR A 6 -3.415 -7.719 18.166 1.00 0.00 O ATOM 79 CB THR A 6 -2.977 -5.020 16.737 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.337 -5.394 16.486 1.00 0.00 O ATOM 81 CG2 THR A 6 -2.075 -5.630 15.675 1.00 0.00 C ATOM 0 H THR A 6 -0.945 -6.658 17.499 1.00 0.00 H new ATOM 0 HA THR A 6 -2.622 -4.633 18.831 1.00 0.00 H new ATOM 0 HB THR A 6 -2.884 -3.935 16.690 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.597 -5.098 15.589 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.393 -5.291 14.689 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.045 -5.319 15.850 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.139 -6.717 15.724 1.00 0.00 H new ATOM 89 N ASP A 7 -4.406 -6.218 19.522 1.00 0.00 N ATOM 90 CA ASP A 7 -5.376 -7.166 20.059 1.00 0.00 C ATOM 91 C ASP A 7 -4.679 -8.373 20.680 1.00 0.00 C ATOM 92 O ASP A 7 -5.304 -9.405 20.924 1.00 0.00 O ATOM 93 CB ASP A 7 -6.337 -7.625 18.959 1.00 0.00 C ATOM 94 CG ASP A 7 -5.768 -8.753 18.121 1.00 0.00 C ATOM 95 OD1 ASP A 7 -5.613 -9.871 18.656 1.00 0.00 O ATOM 96 OD2 ASP A 7 -5.476 -8.518 16.930 1.00 0.00 O ATOM 0 H ASP A 7 -4.487 -5.275 19.901 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.944 -6.659 20.840 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.273 -7.951 19.412 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.573 -6.780 18.312 1.00 0.00 H new ATOM 101 N SER A 8 -3.381 -8.238 20.932 1.00 0.00 N ATOM 102 CA SER A 8 -2.604 -9.320 21.521 1.00 0.00 C ATOM 103 C SER A 8 -2.747 -10.586 20.689 1.00 0.00 C ATOM 104 O SER A 8 -2.675 -11.698 21.211 1.00 0.00 O ATOM 105 CB SER A 8 -3.057 -9.582 22.959 1.00 0.00 C ATOM 106 OG SER A 8 -2.977 -8.404 23.742 1.00 0.00 O ATOM 0 H SER A 8 -2.847 -7.391 20.738 1.00 0.00 H new ATOM 0 HA SER A 8 -1.555 -9.024 21.534 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.082 -9.953 22.959 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.436 -10.360 23.403 1.00 0.00 H new ATOM 0 HG SER A 8 -3.273 -8.598 24.656 1.00 0.00 H new ATOM 112 N GLY A 9 -2.956 -10.406 19.391 1.00 0.00 N ATOM 113 CA GLY A 9 -3.113 -11.537 18.502 1.00 0.00 C ATOM 114 C GLY A 9 -2.279 -11.406 17.245 1.00 0.00 C ATOM 115 O GLY A 9 -1.784 -12.400 16.714 1.00 0.00 O ATOM 0 H GLY A 9 -3.019 -9.494 18.939 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.832 -12.450 19.027 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.163 -11.637 18.229 1.00 0.00 H new ATOM 119 N VAL A 10 -2.121 -10.176 16.767 1.00 0.00 N ATOM 120 CA VAL A 10 -1.342 -9.922 15.564 1.00 0.00 C ATOM 121 C VAL A 10 -0.265 -8.881 15.831 1.00 0.00 C ATOM 122 O VAL A 10 -0.541 -7.682 15.868 1.00 0.00 O ATOM 123 CB VAL A 10 -2.233 -9.437 14.404 1.00 0.00 C ATOM 124 CG1 VAL A 10 -1.941 -10.233 13.141 1.00 0.00 C ATOM 125 CG2 VAL A 10 -3.708 -9.530 14.770 1.00 0.00 C ATOM 0 H VAL A 10 -2.522 -9.341 17.195 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.878 -10.866 15.279 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.001 -8.389 14.214 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.579 -9.878 12.332 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.895 -10.103 12.863 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.140 -11.289 13.323 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.313 -9.181 13.933 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.962 -10.566 14.995 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.906 -8.910 15.644 1.00 0.00 H new ATOM 135 N VAL A 11 0.965 -9.345 16.017 1.00 0.00 N ATOM 136 CA VAL A 11 2.081 -8.449 16.283 1.00 0.00 C ATOM 137 C VAL A 11 2.953 -8.279 15.046 1.00 0.00 C ATOM 138 O VAL A 11 3.435 -9.254 14.469 1.00 0.00 O ATOM 139 CB VAL A 11 2.935 -8.948 17.466 1.00 0.00 C ATOM 140 CG1 VAL A 11 3.131 -10.452 17.396 1.00 0.00 C ATOM 141 CG2 VAL A 11 4.275 -8.229 17.511 1.00 0.00 C ATOM 0 H VAL A 11 1.213 -10.334 15.988 1.00 0.00 H new ATOM 0 HA VAL A 11 1.660 -7.480 16.550 1.00 0.00 H new ATOM 0 HB VAL A 11 2.399 -8.720 18.387 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.736 -10.780 18.241 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.161 -10.947 17.431 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.637 -10.710 16.466 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.858 -8.599 18.354 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.819 -8.414 16.585 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.109 -7.158 17.627 1.00 0.00 H new ATOM 151 N TYR A 12 3.136 -7.027 14.639 1.00 0.00 N ATOM 152 CA TYR A 12 3.933 -6.710 13.462 1.00 0.00 C ATOM 153 C TYR A 12 5.135 -5.845 13.826 1.00 0.00 C ATOM 154 O TYR A 12 4.991 -4.801 14.461 1.00 0.00 O ATOM 155 CB TYR A 12 3.060 -5.995 12.436 1.00 0.00 C ATOM 156 CG TYR A 12 1.850 -6.802 12.032 1.00 0.00 C ATOM 157 CD1 TYR A 12 1.945 -7.770 11.045 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.618 -6.601 12.642 1.00 0.00 C ATOM 159 CE1 TYR A 12 0.845 -8.517 10.670 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.488 -7.346 12.276 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.369 -8.302 11.288 1.00 0.00 C ATOM 162 OH TYR A 12 -1.466 -9.043 10.917 1.00 0.00 O ATOM 0 H TYR A 12 2.741 -6.213 15.110 1.00 0.00 H new ATOM 0 HA TYR A 12 4.310 -7.640 13.037 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.733 -5.040 12.847 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.656 -5.774 11.550 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.895 -7.943 10.561 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.523 -5.852 13.414 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.935 -9.266 9.897 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.439 -7.181 12.760 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.209 -9.681 10.219 1.00 0.00 H new ATOM 172 N SER A 13 6.320 -6.287 13.419 1.00 0.00 N ATOM 173 CA SER A 13 7.548 -5.554 13.702 1.00 0.00 C ATOM 174 C SER A 13 7.461 -4.126 13.180 1.00 0.00 C ATOM 175 O SER A 13 6.490 -3.751 12.525 1.00 0.00 O ATOM 176 CB SER A 13 8.748 -6.265 13.073 1.00 0.00 C ATOM 177 OG SER A 13 8.865 -5.949 11.696 1.00 0.00 O ATOM 0 H SER A 13 6.456 -7.150 12.892 1.00 0.00 H new ATOM 0 HA SER A 13 7.679 -5.520 14.784 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.660 -5.975 13.594 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.640 -7.343 13.194 1.00 0.00 H new ATOM 0 HG SER A 13 9.640 -6.415 11.318 1.00 0.00 H new ATOM 183 N VAL A 14 8.484 -3.334 13.479 1.00 0.00 N ATOM 184 CA VAL A 14 8.531 -1.949 13.048 1.00 0.00 C ATOM 185 C VAL A 14 8.951 -1.841 11.587 1.00 0.00 C ATOM 186 O VAL A 14 9.000 -2.843 10.872 1.00 0.00 O ATOM 187 CB VAL A 14 9.503 -1.144 13.923 1.00 0.00 C ATOM 188 CG1 VAL A 14 9.014 -1.117 15.361 1.00 0.00 C ATOM 189 CG2 VAL A 14 10.907 -1.723 13.838 1.00 0.00 C ATOM 0 H VAL A 14 9.294 -3.633 14.021 1.00 0.00 H new ATOM 0 HA VAL A 14 7.527 -1.537 13.153 1.00 0.00 H new ATOM 0 HB VAL A 14 9.540 -0.120 13.552 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.711 -0.543 15.972 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.029 -0.652 15.402 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.950 -2.136 15.743 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.580 -1.138 14.465 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.896 -2.757 14.183 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.253 -1.689 12.805 1.00 0.00 H new ATOM 199 N GLY A 15 9.246 -0.624 11.145 1.00 0.00 N ATOM 200 CA GLY A 15 9.648 -0.420 9.769 1.00 0.00 C ATOM 201 C GLY A 15 8.839 -1.268 8.808 1.00 0.00 C ATOM 202 O GLY A 15 9.375 -1.795 7.834 1.00 0.00 O ATOM 0 H GLY A 15 9.214 0.222 11.714 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.532 0.632 9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.706 -0.660 9.661 1.00 0.00 H new ATOM 206 N MET A 16 7.545 -1.403 9.085 1.00 0.00 N ATOM 207 CA MET A 16 6.664 -2.197 8.234 1.00 0.00 C ATOM 208 C MET A 16 5.226 -1.700 8.328 1.00 0.00 C ATOM 209 O MET A 16 4.846 -1.047 9.300 1.00 0.00 O ATOM 210 CB MET A 16 6.741 -3.678 8.620 1.00 0.00 C ATOM 211 CG MET A 16 5.818 -4.066 9.766 1.00 0.00 C ATOM 212 SD MET A 16 4.569 -5.270 9.273 1.00 0.00 S ATOM 213 CE MET A 16 5.507 -6.794 9.373 1.00 0.00 C ATOM 0 H MET A 16 7.085 -0.975 9.888 1.00 0.00 H new ATOM 0 HA MET A 16 6.997 -2.086 7.202 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.495 -4.284 7.748 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.768 -3.918 8.896 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.412 -4.477 10.582 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.325 -3.173 10.149 1.00 0.00 H new ATOM 0 HE1 MET A 16 4.845 -7.610 9.662 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.951 -7.013 8.402 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.297 -6.687 10.117 1.00 0.00 H new ATOM 223 N GLN A 17 4.432 -2.006 7.306 1.00 0.00 N ATOM 224 CA GLN A 17 3.037 -1.580 7.272 1.00 0.00 C ATOM 225 C GLN A 17 2.102 -2.759 7.020 1.00 0.00 C ATOM 226 O GLN A 17 2.487 -3.750 6.399 1.00 0.00 O ATOM 227 CB GLN A 17 2.836 -0.517 6.191 1.00 0.00 C ATOM 228 CG GLN A 17 3.932 -0.499 5.140 1.00 0.00 C ATOM 229 CD GLN A 17 5.033 0.495 5.460 1.00 0.00 C ATOM 230 OE1 GLN A 17 4.833 1.707 5.376 1.00 0.00 O ATOM 231 NE2 GLN A 17 6.201 -0.016 5.829 1.00 0.00 N ATOM 0 H GLN A 17 4.730 -2.546 6.493 1.00 0.00 H new ATOM 0 HA GLN A 17 2.794 -1.156 8.246 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.878 -0.687 5.701 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.782 0.464 6.664 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.363 -1.497 5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.497 -0.254 4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.320 -1.027 5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.979 0.603 6.057 1.00 0.00 H new ATOM 240 N TRP A 18 0.869 -2.638 7.503 1.00 0.00 N ATOM 241 CA TRP A 18 -0.131 -3.684 7.330 1.00 0.00 C ATOM 242 C TRP A 18 -1.538 -3.097 7.359 1.00 0.00 C ATOM 243 O TRP A 18 -1.763 -2.025 7.923 1.00 0.00 O ATOM 244 CB TRP A 18 0.016 -4.755 8.414 1.00 0.00 C ATOM 245 CG TRP A 18 -0.448 -4.310 9.766 1.00 0.00 C ATOM 246 CD1 TRP A 18 -1.502 -4.808 10.478 1.00 0.00 C ATOM 247 CD2 TRP A 18 0.128 -3.277 10.572 1.00 0.00 C ATOM 248 NE1 TRP A 18 -1.615 -4.147 11.678 1.00 0.00 N ATOM 249 CE2 TRP A 18 -0.627 -3.202 11.760 1.00 0.00 C ATOM 250 CE3 TRP A 18 1.208 -2.407 10.405 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -0.331 -2.293 12.773 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.498 -1.507 11.411 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.732 -1.456 12.582 1.00 0.00 C ATOM 0 H TRP A 18 0.539 -1.822 8.019 1.00 0.00 H new ATOM 0 HA TRP A 18 0.031 -4.148 6.357 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.549 -5.639 8.118 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.063 -5.053 8.479 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.152 -5.605 10.147 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.320 -4.331 12.392 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.805 -2.438 9.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.921 -2.251 13.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.331 -0.830 11.293 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.987 -0.741 13.350 1.00 0.00 H new ATOM 264 N LEU A 19 -2.481 -3.802 6.745 1.00 0.00 N ATOM 265 CA LEU A 19 -3.866 -3.347 6.695 1.00 0.00 C ATOM 266 C LEU A 19 -4.500 -3.381 8.080 1.00 0.00 C ATOM 267 O LEU A 19 -4.037 -4.095 8.970 1.00 0.00 O ATOM 268 CB LEU A 19 -4.676 -4.212 5.727 1.00 0.00 C ATOM 269 CG LEU A 19 -5.303 -3.456 4.554 1.00 0.00 C ATOM 270 CD1 LEU A 19 -6.292 -4.344 3.815 1.00 0.00 C ATOM 271 CD2 LEU A 19 -5.985 -2.186 5.041 1.00 0.00 C ATOM 0 H LEU A 19 -2.312 -4.691 6.275 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.871 -2.317 6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.027 -4.993 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.469 -4.709 6.285 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.509 -3.175 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.728 -3.790 2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.775 -5.224 3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.082 -4.655 4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.425 -1.661 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.768 -2.444 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.251 -1.542 5.525 1.00 0.00 H new ATOM 283 N LYS A 20 -5.562 -2.602 8.258 1.00 0.00 N ATOM 284 CA LYS A 20 -6.257 -2.542 9.535 1.00 0.00 C ATOM 285 C LYS A 20 -7.676 -2.010 9.364 1.00 0.00 C ATOM 286 O LYS A 20 -8.158 -1.854 8.242 1.00 0.00 O ATOM 287 CB LYS A 20 -5.482 -1.661 10.514 1.00 0.00 C ATOM 288 CG LYS A 20 -4.643 -2.452 11.502 1.00 0.00 C ATOM 289 CD LYS A 20 -5.513 -3.338 12.375 1.00 0.00 C ATOM 290 CE LYS A 20 -4.943 -4.743 12.489 1.00 0.00 C ATOM 291 NZ LYS A 20 -5.909 -5.686 13.118 1.00 0.00 N ATOM 0 H LYS A 20 -5.959 -2.004 7.533 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.319 -3.554 9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.832 -0.990 9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.185 -1.036 11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.922 -3.065 10.962 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.072 -1.767 12.129 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.600 -2.898 13.369 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.519 -3.385 11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.674 -5.107 11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.026 -4.716 13.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.482 -6.632 13.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.147 -5.353 14.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.774 -5.732 12.543 1.00 0.00 H new ATOM 305 N THR A 21 -8.338 -1.734 10.482 1.00 0.00 N ATOM 306 CA THR A 21 -9.702 -1.219 10.455 1.00 0.00 C ATOM 307 C THR A 21 -9.871 -0.057 11.426 1.00 0.00 C ATOM 308 O THR A 21 -9.684 -0.210 12.633 1.00 0.00 O ATOM 309 CB THR A 21 -10.724 -2.317 10.806 1.00 0.00 C ATOM 310 OG1 THR A 21 -10.062 -3.581 10.933 1.00 0.00 O ATOM 311 CG2 THR A 21 -11.804 -2.412 9.740 1.00 0.00 C ATOM 0 H THR A 21 -7.952 -1.858 11.418 1.00 0.00 H new ATOM 0 HA THR A 21 -9.887 -0.870 9.439 1.00 0.00 H new ATOM 0 HB THR A 21 -11.193 -2.055 11.755 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.719 -4.273 11.158 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.514 -3.194 10.010 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.326 -1.458 9.665 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.347 -2.652 8.780 1.00 0.00 H new ATOM 319 N GLN A 22 -10.226 1.108 10.892 1.00 0.00 N ATOM 320 CA GLN A 22 -10.421 2.298 11.711 1.00 0.00 C ATOM 321 C GLN A 22 -11.905 2.608 11.876 1.00 0.00 C ATOM 322 O GLN A 22 -12.339 3.740 11.662 1.00 0.00 O ATOM 323 CB GLN A 22 -9.704 3.495 11.086 1.00 0.00 C ATOM 324 CG GLN A 22 -8.613 4.080 11.970 1.00 0.00 C ATOM 325 CD GLN A 22 -9.072 4.296 13.399 1.00 0.00 C ATOM 326 OE1 GLN A 22 -10.126 4.883 13.642 1.00 0.00 O ATOM 327 NE2 GLN A 22 -8.280 3.819 14.352 1.00 0.00 N ATOM 0 H GLN A 22 -10.384 1.252 9.895 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.998 2.104 12.697 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.266 3.190 10.136 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.436 4.272 10.865 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.751 3.413 11.966 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.282 5.030 11.551 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.415 3.339 14.103 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.537 3.933 15.333 1.00 0.00 H new ATOM 336 N GLY A 23 -12.678 1.597 12.257 1.00 0.00 N ATOM 337 CA GLY A 23 -14.105 1.782 12.443 1.00 0.00 C ATOM 338 C GLY A 23 -14.923 1.116 11.355 1.00 0.00 C ATOM 339 O GLY A 23 -15.084 -0.104 11.350 1.00 0.00 O ATOM 0 H GLY A 23 -12.341 0.652 12.440 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.397 1.377 13.412 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.331 2.848 12.462 1.00 0.00 H new ATOM 343 N ASN A 24 -15.443 1.919 10.432 1.00 0.00 N ATOM 344 CA ASN A 24 -16.250 1.400 9.334 1.00 0.00 C ATOM 345 C ASN A 24 -15.461 1.405 8.029 1.00 0.00 C ATOM 346 O ASN A 24 -16.037 1.478 6.945 1.00 0.00 O ATOM 347 CB ASN A 24 -17.526 2.229 9.175 1.00 0.00 C ATOM 348 CG ASN A 24 -17.277 3.714 9.351 1.00 0.00 C ATOM 349 OD1 ASN A 24 -17.804 4.340 10.270 1.00 0.00 O ATOM 350 ND2 ASN A 24 -16.469 4.287 8.467 1.00 0.00 N ATOM 0 H ASN A 24 -15.320 2.931 10.423 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.520 0.371 9.570 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -17.952 2.049 8.188 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -18.264 1.898 9.906 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -16.264 5.284 8.535 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -16.053 3.730 7.720 1.00 0.00 H new ATOM 357 N LYS A 25 -14.139 1.327 8.143 1.00 0.00 N ATOM 358 CA LYS A 25 -13.271 1.322 6.971 1.00 0.00 C ATOM 359 C LYS A 25 -11.875 0.822 7.330 1.00 0.00 C ATOM 360 O LYS A 25 -11.392 1.045 8.440 1.00 0.00 O ATOM 361 CB LYS A 25 -13.182 2.726 6.371 1.00 0.00 C ATOM 362 CG LYS A 25 -12.508 3.737 7.284 1.00 0.00 C ATOM 363 CD LYS A 25 -12.414 5.105 6.629 1.00 0.00 C ATOM 364 CE LYS A 25 -12.729 6.219 7.614 1.00 0.00 C ATOM 365 NZ LYS A 25 -12.123 7.515 7.202 1.00 0.00 N ATOM 0 H LYS A 25 -13.646 1.266 9.034 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.702 0.645 6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.633 2.676 5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.187 3.076 6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.068 3.817 8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.509 3.386 7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.412 5.248 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.106 5.155 5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.810 6.334 7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.360 5.944 8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.534 8.286 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.095 7.483 7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.315 7.683 6.194 1.00 0.00 H new ATOM 379 N GLN A 26 -11.233 0.145 6.384 1.00 0.00 N ATOM 380 CA GLN A 26 -9.893 -0.387 6.601 1.00 0.00 C ATOM 381 C GLN A 26 -8.850 0.725 6.539 1.00 0.00 C ATOM 382 O GLN A 26 -8.919 1.606 5.682 1.00 0.00 O ATOM 383 CB GLN A 26 -9.573 -1.461 5.561 1.00 0.00 C ATOM 384 CG GLN A 26 -10.011 -2.858 5.973 1.00 0.00 C ATOM 385 CD GLN A 26 -10.609 -3.643 4.823 1.00 0.00 C ATOM 386 OE1 GLN A 26 -11.663 -3.289 4.295 1.00 0.00 O ATOM 387 NE2 GLN A 26 -9.936 -4.718 4.429 1.00 0.00 N ATOM 0 H GLN A 26 -11.619 -0.048 5.460 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.863 -0.834 7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.058 -1.200 4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.499 -1.466 5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.154 -3.401 6.372 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.743 -2.783 6.777 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.066 -4.974 4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.289 -5.287 3.660 1.00 0.00 H new ATOM 396 N MET A 27 -7.885 0.678 7.452 1.00 0.00 N ATOM 397 CA MET A 27 -6.830 1.684 7.497 1.00 0.00 C ATOM 398 C MET A 27 -5.452 1.030 7.476 1.00 0.00 C ATOM 399 O MET A 27 -5.212 0.045 8.175 1.00 0.00 O ATOM 400 CB MET A 27 -6.976 2.551 8.748 1.00 0.00 C ATOM 401 CG MET A 27 -7.499 3.949 8.461 1.00 0.00 C ATOM 402 SD MET A 27 -6.786 5.195 9.552 1.00 0.00 S ATOM 403 CE MET A 27 -6.642 6.585 8.432 1.00 0.00 C ATOM 0 H MET A 27 -7.812 -0.044 8.169 1.00 0.00 H new ATOM 0 HA MET A 27 -6.927 2.314 6.613 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.651 2.056 9.446 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.007 2.629 9.241 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.279 4.210 7.426 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.584 3.956 8.568 1.00 0.00 H new ATOM 0 HE1 MET A 27 -5.594 6.738 8.174 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.213 6.383 7.526 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.031 7.482 8.913 1.00 0.00 H new ATOM 413 N LEU A 28 -4.550 1.584 6.672 1.00 0.00 N ATOM 414 CA LEU A 28 -3.196 1.054 6.563 1.00 0.00 C ATOM 415 C LEU A 28 -2.315 1.590 7.688 1.00 0.00 C ATOM 416 O LEU A 28 -2.049 2.789 7.761 1.00 0.00 O ATOM 417 CB LEU A 28 -2.590 1.420 5.207 1.00 0.00 C ATOM 418 CG LEU A 28 -1.357 0.608 4.798 1.00 0.00 C ATOM 419 CD1 LEU A 28 -0.639 0.057 6.021 1.00 0.00 C ATOM 420 CD2 LEU A 28 -1.747 -0.522 3.859 1.00 0.00 C ATOM 0 H LEU A 28 -4.732 2.399 6.087 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.247 -0.031 6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.356 1.297 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.320 2.476 5.222 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.674 1.275 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.233 -0.516 5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.319 0.882 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.315 -0.591 6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.857 -1.087 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.454 -1.183 4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.209 -0.107 2.963 1.00 0.00 H new ATOM 432 N CYS A 29 -1.867 0.695 8.563 1.00 0.00 N ATOM 433 CA CYS A 29 -1.019 1.080 9.687 1.00 0.00 C ATOM 434 C CYS A 29 0.434 0.679 9.446 1.00 0.00 C ATOM 435 O CYS A 29 0.717 -0.218 8.652 1.00 0.00 O ATOM 436 CB CYS A 29 -1.529 0.435 10.977 1.00 0.00 C ATOM 437 SG CYS A 29 -2.536 1.540 12.019 1.00 0.00 S ATOM 0 H CYS A 29 -2.077 -0.302 8.516 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.062 2.165 9.784 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.121 -0.444 10.721 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.675 0.086 11.557 1.00 0.00 H new ATOM 442 N THR A 30 1.350 1.350 10.139 1.00 0.00 N ATOM 443 CA THR A 30 2.775 1.064 10.003 1.00 0.00 C ATOM 444 C THR A 30 3.498 1.203 11.337 1.00 0.00 C ATOM 445 O THR A 30 3.412 2.240 11.996 1.00 0.00 O ATOM 446 CB THR A 30 3.447 2.001 8.983 1.00 0.00 C ATOM 447 OG1 THR A 30 2.487 2.462 8.026 1.00 0.00 O ATOM 448 CG2 THR A 30 4.589 1.295 8.268 1.00 0.00 C ATOM 0 H THR A 30 1.131 2.095 10.800 1.00 0.00 H new ATOM 0 HA THR A 30 2.850 0.035 9.651 1.00 0.00 H new ATOM 0 HB THR A 30 3.852 2.856 9.525 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.926 3.058 7.384 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.048 1.978 7.553 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.335 0.979 8.997 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.204 0.422 7.741 1.00 0.00 H new ATOM 456 N CYS A 31 4.221 0.159 11.722 1.00 0.00 N ATOM 457 CA CYS A 31 4.973 0.170 12.968 1.00 0.00 C ATOM 458 C CYS A 31 6.371 0.720 12.726 1.00 0.00 C ATOM 459 O CYS A 31 7.107 0.210 11.882 1.00 0.00 O ATOM 460 CB CYS A 31 5.058 -1.240 13.555 1.00 0.00 C ATOM 461 SG CYS A 31 5.747 -1.303 15.240 1.00 0.00 S ATOM 0 H CYS A 31 4.302 -0.706 11.188 1.00 0.00 H new ATOM 0 HA CYS A 31 4.456 0.812 13.681 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.060 -1.679 13.565 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.671 -1.859 12.900 1.00 0.00 H new ATOM 466 N LEU A 32 6.732 1.766 13.458 1.00 0.00 N ATOM 467 CA LEU A 32 8.043 2.383 13.303 1.00 0.00 C ATOM 468 C LEU A 32 8.636 2.764 14.655 1.00 0.00 C ATOM 469 O LEU A 32 9.601 3.524 14.728 1.00 0.00 O ATOM 470 CB LEU A 32 7.938 3.620 12.409 1.00 0.00 C ATOM 471 CG LEU A 32 7.577 3.334 10.948 1.00 0.00 C ATOM 472 CD1 LEU A 32 7.103 4.604 10.258 1.00 0.00 C ATOM 473 CD2 LEU A 32 8.768 2.737 10.213 1.00 0.00 C ATOM 0 H LEU A 32 6.138 2.204 14.162 1.00 0.00 H new ATOM 0 HA LEU A 32 8.706 1.656 12.835 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.188 4.290 12.828 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.890 4.151 12.435 1.00 0.00 H new ATOM 0 HG LEU A 32 6.763 2.609 10.928 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.851 4.382 9.221 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.222 4.990 10.771 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.896 5.351 10.287 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.494 2.540 9.176 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.602 3.439 10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.062 1.804 10.694 1.00 0.00 H new ATOM 485 N GLY A 33 8.056 2.230 15.725 1.00 0.00 N ATOM 486 CA GLY A 33 8.545 2.525 17.058 1.00 0.00 C ATOM 487 C GLY A 33 7.943 3.792 17.633 1.00 0.00 C ATOM 488 O GLY A 33 7.675 3.871 18.832 1.00 0.00 O ATOM 0 H GLY A 33 7.256 1.598 15.692 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.318 1.688 17.718 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.630 2.623 17.029 1.00 0.00 H new ATOM 492 N ASN A 34 7.730 4.787 16.777 1.00 0.00 N ATOM 493 CA ASN A 34 7.156 6.056 17.209 1.00 0.00 C ATOM 494 C ASN A 34 5.661 5.914 17.467 1.00 0.00 C ATOM 495 O ASN A 34 5.087 6.649 18.270 1.00 0.00 O ATOM 496 CB ASN A 34 7.405 7.137 16.156 1.00 0.00 C ATOM 497 CG ASN A 34 8.054 8.376 16.740 1.00 0.00 C ATOM 498 OD1 ASN A 34 7.635 9.500 16.462 1.00 0.00 O ATOM 499 ND2 ASN A 34 9.082 8.177 17.556 1.00 0.00 N ATOM 0 H ASN A 34 7.946 4.739 15.781 1.00 0.00 H new ATOM 0 HA ASN A 34 7.641 6.349 18.140 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.042 6.733 15.369 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.458 7.411 15.690 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.558 8.973 17.980 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.396 7.228 17.759 1.00 0.00 H new ATOM 506 N GLY A 35 5.036 4.963 16.780 1.00 0.00 N ATOM 507 CA GLY A 35 3.612 4.741 16.952 1.00 0.00 C ATOM 508 C GLY A 35 2.945 4.235 15.688 1.00 0.00 C ATOM 509 O GLY A 35 3.050 4.857 14.631 1.00 0.00 O ATOM 0 H GLY A 35 5.489 4.343 16.109 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.454 4.021 17.755 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.137 5.672 17.261 1.00 0.00 H new ATOM 513 N VAL A 36 2.258 3.103 15.797 1.00 0.00 N ATOM 514 CA VAL A 36 1.570 2.513 14.657 1.00 0.00 C ATOM 515 C VAL A 36 0.759 3.565 13.903 1.00 0.00 C ATOM 516 O VAL A 36 -0.425 3.762 14.177 1.00 0.00 O ATOM 517 CB VAL A 36 0.635 1.365 15.100 1.00 0.00 C ATOM 518 CG1 VAL A 36 -0.381 1.035 14.015 1.00 0.00 C ATOM 519 CG2 VAL A 36 1.443 0.130 15.469 1.00 0.00 C ATOM 0 H VAL A 36 2.163 2.576 16.665 1.00 0.00 H new ATOM 0 HA VAL A 36 2.335 2.109 13.994 1.00 0.00 H new ATOM 0 HB VAL A 36 0.088 1.698 15.982 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.025 0.224 14.354 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.987 1.916 13.804 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.141 0.729 13.109 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.768 -0.668 15.778 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.021 -0.198 14.605 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.120 0.370 16.288 1.00 0.00 H new ATOM 529 N SER A 37 1.403 4.237 12.954 1.00 0.00 N ATOM 530 CA SER A 37 0.738 5.265 12.161 1.00 0.00 C ATOM 531 C SER A 37 -0.189 4.634 11.129 1.00 0.00 C ATOM 532 O SER A 37 0.199 3.708 10.417 1.00 0.00 O ATOM 533 CB SER A 37 1.774 6.149 11.463 1.00 0.00 C ATOM 534 OG SER A 37 1.862 5.838 10.083 1.00 0.00 O ATOM 0 H SER A 37 2.384 4.088 12.716 1.00 0.00 H new ATOM 0 HA SER A 37 0.140 5.881 12.833 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.504 7.198 11.586 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.748 6.013 11.933 1.00 0.00 H new ATOM 0 HG SER A 37 2.529 6.417 9.659 1.00 0.00 H new ATOM 540 N CYS A 38 -1.418 5.134 11.056 1.00 0.00 N ATOM 541 CA CYS A 38 -2.397 4.611 10.111 1.00 0.00 C ATOM 542 C CYS A 38 -2.794 5.665 9.084 1.00 0.00 C ATOM 543 O CYS A 38 -2.954 6.840 9.412 1.00 0.00 O ATOM 544 CB CYS A 38 -3.638 4.113 10.853 1.00 0.00 C ATOM 545 SG CYS A 38 -3.902 2.314 10.733 1.00 0.00 S ATOM 0 H CYS A 38 -1.759 5.899 11.638 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.936 3.777 9.582 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.555 4.388 11.904 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.515 4.626 10.458 1.00 0.00 H new ATOM 550 N GLN A 39 -2.953 5.231 7.837 1.00 0.00 N ATOM 551 CA GLN A 39 -3.335 6.131 6.755 1.00 0.00 C ATOM 552 C GLN A 39 -4.394 5.486 5.866 1.00 0.00 C ATOM 553 O GLN A 39 -4.171 4.420 5.293 1.00 0.00 O ATOM 554 CB GLN A 39 -2.111 6.508 5.920 1.00 0.00 C ATOM 555 CG GLN A 39 -1.862 8.006 5.847 1.00 0.00 C ATOM 556 CD GLN A 39 -1.200 8.549 7.098 1.00 0.00 C ATOM 557 OE1 GLN A 39 -0.264 7.950 7.629 1.00 0.00 O ATOM 558 NE2 GLN A 39 -1.684 9.689 7.576 1.00 0.00 N ATOM 0 H GLN A 39 -2.823 4.261 7.551 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.755 7.035 7.196 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.231 6.022 6.341 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.237 6.119 4.909 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.233 8.224 4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.810 8.521 5.689 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.461 10.151 7.104 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.279 10.103 8.416 1.00 0.00 H new ATOM 567 N GLU A 40 -5.546 6.139 5.757 1.00 0.00 N ATOM 568 CA GLU A 40 -6.639 5.628 4.938 1.00 0.00 C ATOM 569 C GLU A 40 -6.154 5.292 3.532 1.00 0.00 C ATOM 570 O GLU A 40 -4.956 5.330 3.252 1.00 0.00 O ATOM 571 CB GLU A 40 -7.774 6.651 4.868 1.00 0.00 C ATOM 572 CG GLU A 40 -9.089 6.142 5.437 1.00 0.00 C ATOM 573 CD GLU A 40 -9.894 5.350 4.425 1.00 0.00 C ATOM 574 OE1 GLU A 40 -9.638 4.137 4.281 1.00 0.00 O ATOM 575 OE2 GLU A 40 -10.782 5.945 3.777 1.00 0.00 O ATOM 0 H GLU A 40 -5.747 7.023 6.225 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.011 4.715 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.477 7.549 5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.926 6.942 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.887 5.515 6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.682 6.988 5.785 1.00 0.00 H new ATOM 582 N THR A 41 -7.093 4.963 2.650 1.00 0.00 N ATOM 583 CA THR A 41 -6.761 4.621 1.272 1.00 0.00 C ATOM 584 C THR A 41 -6.590 5.874 0.421 1.00 0.00 C ATOM 585 O THR A 41 -6.022 5.821 -0.670 1.00 0.00 O ATOM 586 CB THR A 41 -7.845 3.728 0.640 1.00 0.00 C ATOM 587 OG1 THR A 41 -8.839 3.395 1.615 1.00 0.00 O ATOM 588 CG2 THR A 41 -7.235 2.454 0.075 1.00 0.00 C ATOM 0 H THR A 41 -8.089 4.926 2.865 1.00 0.00 H new ATOM 0 HA THR A 41 -5.819 4.073 1.299 1.00 0.00 H new ATOM 0 HB THR A 41 -8.310 4.283 -0.175 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.524 2.829 1.203 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.020 1.839 -0.366 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.502 2.710 -0.690 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.746 1.899 0.875 1.00 0.00 H new ATOM 596 N ALA A 42 -7.084 6.998 0.926 1.00 0.00 N ATOM 597 CA ALA A 42 -6.985 8.265 0.211 1.00 0.00 C ATOM 598 C ALA A 42 -5.725 9.019 0.605 1.00 0.00 C ATOM 599 O ALA A 42 -5.742 10.237 0.786 1.00 0.00 O ATOM 600 CB ALA A 42 -8.210 9.117 0.476 1.00 0.00 C ATOM 0 H ALA A 42 -7.557 7.058 1.828 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.930 8.047 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.122 10.059 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.101 8.588 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.290 9.318 1.544 1.00 0.00 H new ATOM 606 N VAL A 43 -4.638 8.281 0.735 1.00 0.00 N ATOM 607 CA VAL A 43 -3.354 8.860 1.109 1.00 0.00 C ATOM 608 C VAL A 43 -2.202 7.940 0.719 1.00 0.00 C ATOM 609 O VAL A 43 -2.196 6.757 1.062 1.00 0.00 O ATOM 610 CB VAL A 43 -3.281 9.139 2.622 1.00 0.00 C ATOM 611 CG1 VAL A 43 -2.265 10.231 2.917 1.00 0.00 C ATOM 612 CG2 VAL A 43 -4.652 9.516 3.163 1.00 0.00 C ATOM 0 H VAL A 43 -4.616 7.272 0.587 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.264 9.802 0.569 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.956 8.228 3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.228 10.413 3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.281 9.916 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.556 11.147 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.580 9.709 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.010 10.412 2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.350 8.697 2.988 1.00 0.00 H new ATOM 622 N THR A 44 -1.229 8.492 0.001 1.00 0.00 N ATOM 623 CA THR A 44 -0.074 7.726 -0.437 1.00 0.00 C ATOM 624 C THR A 44 1.090 7.900 0.538 1.00 0.00 C ATOM 625 O THR A 44 1.255 8.962 1.140 1.00 0.00 O ATOM 626 CB THR A 44 0.359 8.153 -1.857 1.00 0.00 C ATOM 627 OG1 THR A 44 -0.442 7.477 -2.834 1.00 0.00 O ATOM 628 CG2 THR A 44 1.827 7.853 -2.109 1.00 0.00 C ATOM 0 H THR A 44 -1.220 9.470 -0.289 1.00 0.00 H new ATOM 0 HA THR A 44 -0.358 6.674 -0.460 1.00 0.00 H new ATOM 0 HB THR A 44 0.214 9.230 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.164 7.753 -3.732 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.095 8.167 -3.118 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.438 8.394 -1.386 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.003 6.782 -2.004 1.00 0.00 H new ATOM 636 N GLN A 45 1.892 6.852 0.688 1.00 0.00 N ATOM 637 CA GLN A 45 3.039 6.888 1.589 1.00 0.00 C ATOM 638 C GLN A 45 3.748 8.237 1.514 1.00 0.00 C ATOM 639 O GLN A 45 3.558 8.997 0.564 1.00 0.00 O ATOM 640 CB GLN A 45 4.018 5.764 1.247 1.00 0.00 C ATOM 641 CG GLN A 45 4.725 5.182 2.461 1.00 0.00 C ATOM 642 CD GLN A 45 5.966 5.962 2.843 1.00 0.00 C ATOM 643 OE1 GLN A 45 6.027 6.574 3.909 1.00 0.00 O ATOM 644 NE2 GLN A 45 6.968 5.945 1.970 1.00 0.00 N ATOM 0 H GLN A 45 1.769 5.966 0.197 1.00 0.00 H new ATOM 0 HA GLN A 45 2.675 6.746 2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.479 4.967 0.734 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.765 6.144 0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.036 5.167 3.305 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.000 4.147 2.255 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.876 5.425 1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.829 6.452 2.172 1.00 0.00 H new ATOM 653 N THR A 46 4.565 8.526 2.521 1.00 0.00 N ATOM 654 CA THR A 46 5.303 9.782 2.570 1.00 0.00 C ATOM 655 C THR A 46 6.722 9.565 3.082 1.00 0.00 C ATOM 656 O THR A 46 6.960 8.719 3.945 1.00 0.00 O ATOM 657 CB THR A 46 4.598 10.814 3.470 1.00 0.00 C ATOM 658 OG1 THR A 46 4.230 10.209 4.716 1.00 0.00 O ATOM 659 CG2 THR A 46 3.358 11.370 2.786 1.00 0.00 C ATOM 0 H THR A 46 4.733 7.907 3.314 1.00 0.00 H new ATOM 0 HA THR A 46 5.341 10.166 1.551 1.00 0.00 H new ATOM 0 HB THR A 46 5.291 11.634 3.656 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.758 10.864 5.271 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.877 12.097 3.440 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.644 11.855 1.853 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.664 10.557 2.574 1.00 0.00 H new ATOM 667 N TYR A 47 7.664 10.334 2.545 1.00 0.00 N ATOM 668 CA TYR A 47 9.061 10.226 2.947 1.00 0.00 C ATOM 669 C TYR A 47 9.856 11.445 2.490 1.00 0.00 C ATOM 670 O TYR A 47 9.395 12.219 1.653 1.00 0.00 O ATOM 671 CB TYR A 47 9.682 8.952 2.371 1.00 0.00 C ATOM 672 CG TYR A 47 9.778 8.954 0.862 1.00 0.00 C ATOM 673 CD1 TYR A 47 10.609 9.851 0.201 1.00 0.00 C ATOM 674 CD2 TYR A 47 9.039 8.059 0.098 1.00 0.00 C ATOM 675 CE1 TYR A 47 10.699 9.856 -1.178 1.00 0.00 C ATOM 676 CE2 TYR A 47 9.125 8.058 -1.281 1.00 0.00 C ATOM 677 CZ TYR A 47 9.955 8.957 -1.914 1.00 0.00 C ATOM 678 OH TYR A 47 10.043 8.960 -3.287 1.00 0.00 O ATOM 0 H TYR A 47 7.485 11.039 1.830 1.00 0.00 H new ATOM 0 HA TYR A 47 9.097 10.180 4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.680 8.823 2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.090 8.094 2.688 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.194 10.555 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.387 7.353 0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.348 10.560 -1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.544 7.355 -1.860 1.00 0.00 H new ATOM 0 HH TYR A 47 10.514 8.155 -3.586 1.00 0.00 H new ATOM 688 N GLY A 48 11.051 11.608 3.047 1.00 0.00 N ATOM 689 CA GLY A 48 11.890 12.734 2.684 1.00 0.00 C ATOM 690 C GLY A 48 11.147 14.055 2.743 1.00 0.00 C ATOM 691 O GLY A 48 9.945 14.086 3.007 1.00 0.00 O ATOM 0 H GLY A 48 11.453 10.980 3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.749 12.774 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.278 12.584 1.677 1.00 0.00 H new ATOM 695 N GLY A 49 11.863 15.147 2.497 1.00 0.00 N ATOM 696 CA GLY A 49 11.247 16.460 2.528 1.00 0.00 C ATOM 697 C GLY A 49 11.470 17.175 3.845 1.00 0.00 C ATOM 698 O GLY A 49 12.333 16.785 4.633 1.00 0.00 O ATOM 0 H GLY A 49 12.859 15.146 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.650 17.066 1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.176 16.360 2.350 1.00 0.00 H new ATOM 702 N ASN A 50 10.692 18.224 4.087 1.00 0.00 N ATOM 703 CA ASN A 50 10.810 18.996 5.319 1.00 0.00 C ATOM 704 C ASN A 50 9.920 18.413 6.413 1.00 0.00 C ATOM 705 O ASN A 50 9.609 19.084 7.397 1.00 0.00 O ATOM 706 CB ASN A 50 10.437 20.457 5.068 1.00 0.00 C ATOM 707 CG ASN A 50 11.324 21.110 4.026 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.537 20.901 4.007 1.00 0.00 O ATOM 709 ND2 ASN A 50 10.722 21.907 3.151 1.00 0.00 N ATOM 0 H ASN A 50 9.973 18.560 3.446 1.00 0.00 H new ATOM 0 HA ASN A 50 11.847 18.945 5.652 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.398 20.513 4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.509 21.013 6.003 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.268 22.374 2.427 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.714 22.052 3.203 1.00 0.00 H new ATOM 716 N SER A 51 9.516 17.160 6.233 1.00 0.00 N ATOM 717 CA SER A 51 8.662 16.487 7.205 1.00 0.00 C ATOM 718 C SER A 51 9.354 15.253 7.776 1.00 0.00 C ATOM 719 O SER A 51 8.928 14.703 8.791 1.00 0.00 O ATOM 720 CB SER A 51 7.334 16.087 6.559 1.00 0.00 C ATOM 721 OG SER A 51 6.735 17.189 5.901 1.00 0.00 O ATOM 0 H SER A 51 9.766 16.591 5.424 1.00 0.00 H new ATOM 0 HA SER A 51 8.466 17.183 8.021 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.502 15.280 5.845 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.656 15.702 7.321 1.00 0.00 H new ATOM 0 HG SER A 51 6.564 16.957 4.964 1.00 0.00 H new ATOM 727 N ASN A 52 10.425 14.824 7.116 1.00 0.00 N ATOM 728 CA ASN A 52 11.177 13.655 7.557 1.00 0.00 C ATOM 729 C ASN A 52 10.342 12.386 7.421 1.00 0.00 C ATOM 730 O ASN A 52 10.728 11.323 7.908 1.00 0.00 O ATOM 731 CB ASN A 52 11.626 13.832 9.010 1.00 0.00 C ATOM 732 CG ASN A 52 12.229 12.567 9.587 1.00 0.00 C ATOM 733 OD1 ASN A 52 11.602 11.877 10.391 1.00 0.00 O ATOM 734 ND2 ASN A 52 13.454 12.255 9.179 1.00 0.00 N ATOM 0 H ASN A 52 10.791 15.268 6.274 1.00 0.00 H new ATOM 0 HA ASN A 52 12.056 13.558 6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.358 14.638 9.066 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.772 14.134 9.617 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.911 11.415 9.534 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.937 12.855 8.511 1.00 0.00 H new ATOM 741 N GLY A 53 9.199 12.503 6.755 1.00 0.00 N ATOM 742 CA GLY A 53 8.330 11.357 6.567 1.00 0.00 C ATOM 743 C GLY A 53 7.077 11.431 7.418 1.00 0.00 C ATOM 744 O GLY A 53 6.911 10.655 8.360 1.00 0.00 O ATOM 0 H GLY A 53 8.859 13.371 6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.048 11.288 5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.877 10.446 6.811 1.00 0.00 H new ATOM 748 N GLU A 54 6.194 12.367 7.088 1.00 0.00 N ATOM 749 CA GLU A 54 4.950 12.541 7.829 1.00 0.00 C ATOM 750 C GLU A 54 3.754 12.573 6.883 1.00 0.00 C ATOM 751 O GLU A 54 3.913 12.598 5.664 1.00 0.00 O ATOM 752 CB GLU A 54 4.998 13.828 8.654 1.00 0.00 C ATOM 753 CG GLU A 54 5.041 13.588 10.154 1.00 0.00 C ATOM 754 CD GLU A 54 6.337 14.060 10.783 1.00 0.00 C ATOM 755 OE1 GLU A 54 7.374 13.397 10.573 1.00 0.00 O ATOM 756 OE2 GLU A 54 6.315 15.092 11.486 1.00 0.00 O ATOM 0 H GLU A 54 6.317 13.017 6.312 1.00 0.00 H new ATOM 0 HA GLU A 54 4.835 11.691 8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.876 14.405 8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.124 14.435 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.204 14.104 10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.912 12.524 10.352 1.00 0.00 H new ATOM 763 N PRO A 55 2.535 12.574 7.443 1.00 0.00 N ATOM 764 CA PRO A 55 1.300 12.604 6.652 1.00 0.00 C ATOM 765 C PRO A 55 1.097 13.941 5.947 1.00 0.00 C ATOM 766 O PRO A 55 1.811 14.908 6.212 1.00 0.00 O ATOM 767 CB PRO A 55 0.203 12.377 7.695 1.00 0.00 C ATOM 768 CG PRO A 55 0.796 12.850 8.977 1.00 0.00 C ATOM 769 CD PRO A 55 2.266 12.547 8.890 1.00 0.00 C ATOM 0 HA PRO A 55 1.308 11.860 5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.700 12.934 7.447 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.077 11.325 7.753 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.625 13.918 9.116 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.342 12.342 9.828 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.861 13.288 9.423 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.502 11.576 9.325 1.00 0.00 H new ATOM 777 N CYS A 56 0.120 13.988 5.048 1.00 0.00 N ATOM 778 CA CYS A 56 -0.176 15.207 4.305 1.00 0.00 C ATOM 779 C CYS A 56 -1.288 16.002 4.980 1.00 0.00 C ATOM 780 O CYS A 56 -1.847 15.573 5.990 1.00 0.00 O ATOM 781 CB CYS A 56 -0.575 14.872 2.867 1.00 0.00 C ATOM 782 SG CYS A 56 0.725 14.027 1.910 1.00 0.00 S ATOM 0 H CYS A 56 -0.480 13.196 4.816 1.00 0.00 H new ATOM 0 HA CYS A 56 0.726 15.819 4.291 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.464 14.242 2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.848 15.794 2.353 1.00 0.00 H new ATOM 787 N VAL A 57 -1.600 17.162 4.417 1.00 0.00 N ATOM 788 CA VAL A 57 -2.641 18.022 4.964 1.00 0.00 C ATOM 789 C VAL A 57 -3.312 18.840 3.866 1.00 0.00 C ATOM 790 O VAL A 57 -3.281 20.071 3.886 1.00 0.00 O ATOM 791 CB VAL A 57 -2.069 18.978 6.027 1.00 0.00 C ATOM 792 CG1 VAL A 57 -3.157 19.416 6.994 1.00 0.00 C ATOM 793 CG2 VAL A 57 -0.916 18.318 6.768 1.00 0.00 C ATOM 0 H VAL A 57 -1.146 17.529 3.581 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.382 17.372 5.429 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.687 19.867 5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.733 20.091 7.737 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.946 19.930 6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.573 18.541 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.523 19.006 7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.270 17.412 7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.128 18.062 6.060 1.00 0.00 H new ATOM 803 N LEU A 58 -3.916 18.147 2.907 1.00 0.00 N ATOM 804 CA LEU A 58 -4.594 18.806 1.797 1.00 0.00 C ATOM 805 C LEU A 58 -6.071 19.030 2.118 1.00 0.00 C ATOM 806 O LEU A 58 -6.537 18.681 3.202 1.00 0.00 O ATOM 807 CB LEU A 58 -4.455 17.971 0.523 1.00 0.00 C ATOM 808 CG LEU A 58 -3.594 16.714 0.665 1.00 0.00 C ATOM 809 CD1 LEU A 58 -4.446 15.531 1.100 1.00 0.00 C ATOM 810 CD2 LEU A 58 -2.878 16.407 -0.641 1.00 0.00 C ATOM 0 H LEU A 58 -3.950 17.128 2.876 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.125 19.777 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.450 17.676 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.029 18.598 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.842 16.896 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.817 14.646 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.911 15.752 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.220 15.347 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.271 15.510 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.613 16.245 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.236 17.246 -0.910 1.00 0.00 H new ATOM 822 N PRO A 59 -6.829 19.621 1.177 1.00 0.00 N ATOM 823 CA PRO A 59 -6.305 20.051 -0.126 1.00 0.00 C ATOM 824 C PRO A 59 -5.156 21.044 0.008 1.00 0.00 C ATOM 825 O PRO A 59 -5.210 21.966 0.822 1.00 0.00 O ATOM 826 CB PRO A 59 -7.508 20.721 -0.798 1.00 0.00 C ATOM 827 CG PRO A 59 -8.697 20.158 -0.101 1.00 0.00 C ATOM 828 CD PRO A 59 -8.264 19.913 1.316 1.00 0.00 C ATOM 0 HA PRO A 59 -5.896 19.213 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.466 21.805 -0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.536 20.504 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.537 20.852 -0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.026 19.233 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.439 20.784 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -8.804 19.079 1.765 1.00 0.00 H new ATOM 836 N PHE A 60 -4.118 20.850 -0.798 1.00 0.00 N ATOM 837 CA PHE A 60 -2.955 21.730 -0.770 1.00 0.00 C ATOM 838 C PHE A 60 -2.749 22.403 -2.123 1.00 0.00 C ATOM 839 O PHE A 60 -2.721 21.741 -3.160 1.00 0.00 O ATOM 840 CB PHE A 60 -1.701 20.942 -0.382 1.00 0.00 C ATOM 841 CG PHE A 60 -1.044 20.247 -1.540 1.00 0.00 C ATOM 842 CD1 PHE A 60 -1.487 19.004 -1.960 1.00 0.00 C ATOM 843 CD2 PHE A 60 0.016 20.837 -2.207 1.00 0.00 C ATOM 844 CE1 PHE A 60 -0.885 18.362 -3.025 1.00 0.00 C ATOM 845 CE2 PHE A 60 0.624 20.200 -3.273 1.00 0.00 C ATOM 846 CZ PHE A 60 0.172 18.960 -3.683 1.00 0.00 C ATOM 0 H PHE A 60 -4.058 20.092 -1.478 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.134 22.504 -0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.983 21.621 0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.967 20.201 0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.313 18.531 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.372 21.806 -1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.241 17.393 -3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.451 20.671 -3.784 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.644 18.460 -4.516 1.00 0.00 H new ATOM 856 N THR A 61 -2.606 23.723 -2.104 1.00 0.00 N ATOM 857 CA THR A 61 -2.402 24.489 -3.327 1.00 0.00 C ATOM 858 C THR A 61 -0.928 24.826 -3.518 1.00 0.00 C ATOM 859 O THR A 61 -0.210 25.080 -2.550 1.00 0.00 O ATOM 860 CB THR A 61 -3.229 25.790 -3.309 1.00 0.00 C ATOM 861 OG1 THR A 61 -4.547 25.525 -2.817 1.00 0.00 O ATOM 862 CG2 THR A 61 -3.319 26.405 -4.696 1.00 0.00 C ATOM 0 H THR A 61 -2.628 24.286 -1.253 1.00 0.00 H new ATOM 0 HA THR A 61 -2.736 23.870 -4.160 1.00 0.00 H new ATOM 0 HB THR A 61 -2.726 26.498 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.207 25.946 -3.406 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.908 27.321 -4.650 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.317 26.636 -5.057 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.796 25.700 -5.376 1.00 0.00 H new ATOM 870 N TYR A 62 -0.475 24.818 -4.769 1.00 0.00 N ATOM 871 CA TYR A 62 0.921 25.115 -5.073 1.00 0.00 C ATOM 872 C TYR A 62 1.086 25.644 -6.496 1.00 0.00 C ATOM 873 O TYR A 62 0.561 25.069 -7.450 1.00 0.00 O ATOM 874 CB TYR A 62 1.782 23.865 -4.878 1.00 0.00 C ATOM 875 CG TYR A 62 3.201 24.019 -5.376 1.00 0.00 C ATOM 876 CD1 TYR A 62 3.493 23.961 -6.733 1.00 0.00 C ATOM 877 CD2 TYR A 62 4.249 24.223 -4.488 1.00 0.00 C ATOM 878 CE1 TYR A 62 4.789 24.100 -7.190 1.00 0.00 C ATOM 879 CE2 TYR A 62 5.548 24.363 -4.936 1.00 0.00 C ATOM 880 CZ TYR A 62 5.813 24.301 -6.288 1.00 0.00 C ATOM 881 OH TYR A 62 7.105 24.441 -6.739 1.00 0.00 O ATOM 0 H TYR A 62 -1.051 24.610 -5.585 1.00 0.00 H new ATOM 0 HA TYR A 62 1.251 25.893 -4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.804 23.612 -3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.314 23.028 -5.396 1.00 0.00 H new ATOM 0 HD1 TYR A 62 2.694 23.805 -7.442 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.045 24.273 -3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.000 24.052 -8.248 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.352 24.520 -4.232 1.00 0.00 H new ATOM 0 HH TYR A 62 7.705 24.577 -5.976 1.00 0.00 H new ATOM 891 N ASN A 63 1.818 26.749 -6.627 1.00 0.00 N ATOM 892 CA ASN A 63 2.067 27.370 -7.928 1.00 0.00 C ATOM 893 C ASN A 63 0.853 28.153 -8.437 1.00 0.00 C ATOM 894 O ASN A 63 0.980 28.998 -9.323 1.00 0.00 O ATOM 895 CB ASN A 63 2.489 26.307 -8.953 1.00 0.00 C ATOM 896 CG ASN A 63 1.331 25.783 -9.784 1.00 0.00 C ATOM 897 OD1 ASN A 63 0.623 26.549 -10.437 1.00 0.00 O ATOM 898 ND2 ASN A 63 1.133 24.470 -9.759 1.00 0.00 N ATOM 0 H ASN A 63 2.252 27.236 -5.843 1.00 0.00 H new ATOM 0 HA ASN A 63 2.879 28.085 -7.798 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.242 26.731 -9.618 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.959 25.474 -8.430 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.369 24.059 -10.295 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.745 23.872 -9.203 1.00 0.00 H new ATOM 905 N GLY A 64 -0.322 27.862 -7.887 1.00 0.00 N ATOM 906 CA GLY A 64 -1.528 28.540 -8.312 1.00 0.00 C ATOM 907 C GLY A 64 -2.695 27.583 -8.412 1.00 0.00 C ATOM 908 O GLY A 64 -3.841 28.000 -8.583 1.00 0.00 O ATOM 0 H GLY A 64 -0.458 27.167 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.768 29.335 -7.606 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.359 29.013 -9.280 1.00 0.00 H new ATOM 912 N ARG A 65 -2.399 26.291 -8.300 1.00 0.00 N ATOM 913 CA ARG A 65 -3.421 25.262 -8.373 1.00 0.00 C ATOM 914 C ARG A 65 -3.643 24.639 -6.995 1.00 0.00 C ATOM 915 O ARG A 65 -2.688 24.357 -6.270 1.00 0.00 O ATOM 916 CB ARG A 65 -3.012 24.196 -9.401 1.00 0.00 C ATOM 917 CG ARG A 65 -3.132 22.768 -8.900 1.00 0.00 C ATOM 918 CD ARG A 65 -2.412 21.792 -9.817 1.00 0.00 C ATOM 919 NE ARG A 65 -2.943 21.823 -11.176 1.00 0.00 N ATOM 920 CZ ARG A 65 -2.628 20.932 -12.110 1.00 0.00 C ATOM 921 NH1 ARG A 65 -1.788 19.944 -11.831 1.00 0.00 N ATOM 922 NH2 ARG A 65 -3.153 21.027 -13.324 1.00 0.00 N ATOM 0 H ARG A 65 -1.454 25.935 -8.158 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.361 25.710 -8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.631 24.310 -10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.981 24.377 -9.704 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.716 22.698 -7.895 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.185 22.493 -8.830 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.349 22.032 -9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.503 20.783 -9.415 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.592 22.570 -11.423 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.383 19.867 -10.898 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.547 19.261 -12.549 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.800 21.785 -13.542 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.910 20.342 -14.040 1.00 0.00 H new ATOM 936 N THR A 66 -4.903 24.422 -6.646 1.00 0.00 N ATOM 937 CA THR A 66 -5.248 23.831 -5.359 1.00 0.00 C ATOM 938 C THR A 66 -5.305 22.309 -5.458 1.00 0.00 C ATOM 939 O THR A 66 -6.315 21.742 -5.871 1.00 0.00 O ATOM 940 CB THR A 66 -6.601 24.352 -4.845 1.00 0.00 C ATOM 941 OG1 THR A 66 -6.499 25.743 -4.519 1.00 0.00 O ATOM 942 CG2 THR A 66 -7.047 23.571 -3.619 1.00 0.00 C ATOM 0 H THR A 66 -5.704 24.646 -7.236 1.00 0.00 H new ATOM 0 HA THR A 66 -4.468 24.121 -4.655 1.00 0.00 H new ATOM 0 HB THR A 66 -7.342 24.218 -5.633 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.365 26.067 -4.194 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.006 23.956 -3.272 1.00 0.00 H new ATOM 0 HG22 THR A 66 -7.151 22.517 -3.877 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.305 23.680 -2.828 1.00 0.00 H new ATOM 950 N PHE A 67 -4.212 21.654 -5.079 1.00 0.00 N ATOM 951 CA PHE A 67 -4.136 20.198 -5.128 1.00 0.00 C ATOM 952 C PHE A 67 -4.921 19.571 -3.982 1.00 0.00 C ATOM 953 O PHE A 67 -5.089 20.178 -2.924 1.00 0.00 O ATOM 954 CB PHE A 67 -2.677 19.736 -5.073 1.00 0.00 C ATOM 955 CG PHE A 67 -1.783 20.439 -6.056 1.00 0.00 C ATOM 956 CD1 PHE A 67 -1.318 21.719 -5.799 1.00 0.00 C ATOM 957 CD2 PHE A 67 -1.410 19.819 -7.237 1.00 0.00 C ATOM 958 CE1 PHE A 67 -0.498 22.367 -6.702 1.00 0.00 C ATOM 959 CE2 PHE A 67 -0.590 20.464 -8.144 1.00 0.00 C ATOM 960 CZ PHE A 67 -0.134 21.740 -7.876 1.00 0.00 C ATOM 0 H PHE A 67 -3.366 22.109 -4.734 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.578 19.871 -6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.292 19.897 -4.066 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.637 18.663 -5.262 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.600 22.215 -4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.763 18.821 -7.452 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.142 23.364 -6.489 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.306 19.970 -9.062 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.506 22.246 -8.584 1.00 0.00 H new ATOM 970 N TYR A 68 -5.399 18.350 -4.199 1.00 0.00 N ATOM 971 CA TYR A 68 -6.165 17.635 -3.185 1.00 0.00 C ATOM 972 C TYR A 68 -5.446 16.356 -2.767 1.00 0.00 C ATOM 973 O TYR A 68 -5.773 15.753 -1.745 1.00 0.00 O ATOM 974 CB TYR A 68 -7.561 17.302 -3.711 1.00 0.00 C ATOM 975 CG TYR A 68 -8.489 18.494 -3.767 1.00 0.00 C ATOM 976 CD1 TYR A 68 -8.315 19.490 -4.720 1.00 0.00 C ATOM 977 CD2 TYR A 68 -9.540 18.623 -2.868 1.00 0.00 C ATOM 978 CE1 TYR A 68 -9.161 20.581 -4.774 1.00 0.00 C ATOM 979 CE2 TYR A 68 -10.391 19.711 -2.916 1.00 0.00 C ATOM 980 CZ TYR A 68 -10.197 20.686 -3.871 1.00 0.00 C ATOM 981 OH TYR A 68 -11.042 21.772 -3.922 1.00 0.00 O ATOM 0 H TYR A 68 -5.269 17.835 -5.069 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.260 18.280 -2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.471 16.875 -4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.006 16.536 -3.076 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.505 19.410 -5.430 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.695 17.860 -2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.011 21.348 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.203 19.797 -2.209 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.719 21.693 -3.218 1.00 0.00 H new ATOM 991 N SER A 69 -4.464 15.950 -3.566 1.00 0.00 N ATOM 992 CA SER A 69 -3.696 14.744 -3.283 1.00 0.00 C ATOM 993 C SER A 69 -2.273 14.871 -3.817 1.00 0.00 C ATOM 994 O SER A 69 -1.953 15.815 -4.540 1.00 0.00 O ATOM 995 CB SER A 69 -4.378 13.521 -3.900 1.00 0.00 C ATOM 996 OG SER A 69 -5.436 13.908 -4.760 1.00 0.00 O ATOM 0 H SER A 69 -4.182 16.440 -4.415 1.00 0.00 H new ATOM 0 HA SER A 69 -3.651 14.617 -2.201 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.647 12.936 -4.458 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.764 12.878 -3.109 1.00 0.00 H new ATOM 0 HG SER A 69 -5.855 13.109 -5.143 1.00 0.00 H new ATOM 1002 N CYS A 70 -1.422 13.916 -3.458 1.00 0.00 N ATOM 1003 CA CYS A 70 -0.033 13.924 -3.902 1.00 0.00 C ATOM 1004 C CYS A 70 0.075 14.415 -5.342 1.00 0.00 C ATOM 1005 O CYS A 70 -0.906 14.411 -6.085 1.00 0.00 O ATOM 1006 CB CYS A 70 0.571 12.523 -3.781 1.00 0.00 C ATOM 1007 SG CYS A 70 1.229 12.138 -2.127 1.00 0.00 S ATOM 0 H CYS A 70 -1.670 13.127 -2.861 1.00 0.00 H new ATOM 0 HA CYS A 70 0.523 14.608 -3.262 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.191 11.787 -4.038 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.373 12.420 -4.512 1.00 0.00 H new ATOM 1012 N THR A 71 1.275 14.837 -5.730 1.00 0.00 N ATOM 1013 CA THR A 71 1.511 15.332 -7.081 1.00 0.00 C ATOM 1014 C THR A 71 2.999 15.324 -7.415 1.00 0.00 C ATOM 1015 O THR A 71 3.811 14.782 -6.666 1.00 0.00 O ATOM 1016 CB THR A 71 0.963 16.759 -7.260 1.00 0.00 C ATOM 1017 OG1 THR A 71 1.001 17.128 -8.644 1.00 0.00 O ATOM 1018 CG2 THR A 71 1.773 17.756 -6.444 1.00 0.00 C ATOM 0 H THR A 71 2.098 14.846 -5.128 1.00 0.00 H new ATOM 0 HA THR A 71 0.985 14.662 -7.761 1.00 0.00 H new ATOM 0 HB THR A 71 -0.068 16.775 -6.907 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.087 18.101 -8.721 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.367 18.758 -6.586 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.721 17.490 -5.388 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.812 17.736 -6.772 1.00 0.00 H new ATOM 1026 N THR A 72 3.349 15.931 -8.544 1.00 0.00 N ATOM 1027 CA THR A 72 4.740 15.995 -8.977 1.00 0.00 C ATOM 1028 C THR A 72 5.108 17.403 -9.434 1.00 0.00 C ATOM 1029 O THR A 72 6.172 17.618 -10.017 1.00 0.00 O ATOM 1030 CB THR A 72 5.017 15.007 -10.125 1.00 0.00 C ATOM 1031 OG1 THR A 72 3.835 14.829 -10.916 1.00 0.00 O ATOM 1032 CG2 THR A 72 5.476 13.663 -9.583 1.00 0.00 C ATOM 0 H THR A 72 2.689 16.385 -9.175 1.00 0.00 H new ATOM 0 HA THR A 72 5.352 15.722 -8.117 1.00 0.00 H new ATOM 0 HB THR A 72 5.811 15.421 -10.747 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.021 14.201 -11.645 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.666 12.982 -10.412 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.391 13.797 -9.007 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.701 13.246 -8.941 1.00 0.00 H new ATOM 1040 N GLU A 73 4.225 18.358 -9.165 1.00 0.00 N ATOM 1041 CA GLU A 73 4.460 19.746 -9.549 1.00 0.00 C ATOM 1042 C GLU A 73 5.729 20.283 -8.897 1.00 0.00 C ATOM 1043 O GLU A 73 5.881 20.236 -7.676 1.00 0.00 O ATOM 1044 CB GLU A 73 3.264 20.615 -9.155 1.00 0.00 C ATOM 1045 CG GLU A 73 2.569 21.265 -10.341 1.00 0.00 C ATOM 1046 CD GLU A 73 1.260 20.587 -10.693 1.00 0.00 C ATOM 1047 OE1 GLU A 73 1.177 19.349 -10.552 1.00 0.00 O ATOM 1048 OE2 GLU A 73 0.319 21.293 -11.112 1.00 0.00 O ATOM 0 H GLU A 73 3.341 18.197 -8.683 1.00 0.00 H new ATOM 0 HA GLU A 73 4.586 19.781 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.543 20.003 -8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.601 21.393 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.381 22.315 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.232 21.238 -11.206 1.00 0.00 H new ATOM 1055 N GLY A 74 6.641 20.793 -9.719 1.00 0.00 N ATOM 1056 CA GLY A 74 7.886 21.332 -9.205 1.00 0.00 C ATOM 1057 C GLY A 74 8.974 20.281 -9.101 1.00 0.00 C ATOM 1058 O GLY A 74 10.160 20.593 -9.204 1.00 0.00 O ATOM 0 H GLY A 74 6.539 20.842 -10.733 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.225 22.138 -9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.711 21.768 -8.221 1.00 0.00 H new ATOM 1062 N ARG A 75 8.569 19.032 -8.897 1.00 0.00 N ATOM 1063 CA ARG A 75 9.517 17.931 -8.780 1.00 0.00 C ATOM 1064 C ARG A 75 9.773 17.286 -10.138 1.00 0.00 C ATOM 1065 O ARG A 75 8.848 17.085 -10.925 1.00 0.00 O ATOM 1066 CB ARG A 75 8.996 16.882 -7.795 1.00 0.00 C ATOM 1067 CG ARG A 75 8.946 17.371 -6.356 1.00 0.00 C ATOM 1068 CD ARG A 75 10.206 18.134 -5.983 1.00 0.00 C ATOM 1069 NE ARG A 75 11.401 17.301 -6.080 1.00 0.00 N ATOM 1070 CZ ARG A 75 11.844 16.531 -5.092 1.00 0.00 C ATOM 1071 NH1 ARG A 75 11.192 16.490 -3.937 1.00 0.00 N ATOM 1072 NH2 ARG A 75 12.939 15.801 -5.257 1.00 0.00 N ATOM 0 H ARG A 75 7.591 18.757 -8.809 1.00 0.00 H new ATOM 0 HA ARG A 75 10.458 18.335 -8.406 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.996 16.574 -8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.632 15.998 -7.848 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.076 18.014 -6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.823 16.520 -5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.313 18.999 -6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.111 18.514 -4.966 1.00 0.00 H new ATOM 0 HE ARG A 75 11.925 17.311 -6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.350 17.050 -3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.533 15.898 -3.179 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.443 15.830 -6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.278 15.211 -4.497 1.00 0.00 H new ATOM 1086 N GLN A 76 11.034 16.963 -10.406 1.00 0.00 N ATOM 1087 CA GLN A 76 11.412 16.341 -11.670 1.00 0.00 C ATOM 1088 C GLN A 76 12.386 15.190 -11.440 1.00 0.00 C ATOM 1089 O GLN A 76 13.363 15.035 -12.173 1.00 0.00 O ATOM 1090 CB GLN A 76 12.039 17.376 -12.605 1.00 0.00 C ATOM 1091 CG GLN A 76 12.932 18.379 -11.891 1.00 0.00 C ATOM 1092 CD GLN A 76 12.715 19.799 -12.375 1.00 0.00 C ATOM 1093 OE1 GLN A 76 13.357 20.249 -13.325 1.00 0.00 O ATOM 1094 NE2 GLN A 76 11.807 20.515 -11.722 1.00 0.00 N ATOM 0 H GLN A 76 11.811 17.122 -9.765 1.00 0.00 H new ATOM 0 HA GLN A 76 10.510 15.943 -12.134 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.623 16.859 -13.366 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.245 17.913 -13.123 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.741 18.331 -10.819 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.976 18.103 -12.042 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.298 20.102 -10.940 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.619 21.478 -12.002 1.00 0.00 H new ATOM 1103 N ASP A 77 12.112 14.385 -10.418 1.00 0.00 N ATOM 1104 CA ASP A 77 12.965 13.248 -10.092 1.00 0.00 C ATOM 1105 C ASP A 77 12.181 11.942 -10.169 1.00 0.00 C ATOM 1106 O ASP A 77 12.762 10.856 -10.152 1.00 0.00 O ATOM 1107 CB ASP A 77 13.563 13.416 -8.694 1.00 0.00 C ATOM 1108 CG ASP A 77 13.606 14.866 -8.255 1.00 0.00 C ATOM 1109 OD1 ASP A 77 12.532 15.500 -8.187 1.00 0.00 O ATOM 1110 OD2 ASP A 77 14.716 15.370 -7.979 1.00 0.00 O ATOM 0 H ASP A 77 11.307 14.499 -9.802 1.00 0.00 H new ATOM 0 HA ASP A 77 13.773 13.210 -10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.976 12.840 -7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 77 14.573 13.005 -8.682 1.00 0.00 H new ATOM 1115 N GLY A 78 10.860 12.053 -10.253 1.00 0.00 N ATOM 1116 CA GLY A 78 10.019 10.873 -10.330 1.00 0.00 C ATOM 1117 C GLY A 78 9.006 10.808 -9.205 1.00 0.00 C ATOM 1118 O GLY A 78 7.806 10.959 -9.432 1.00 0.00 O ATOM 0 H GLY A 78 10.356 12.940 -10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.496 10.865 -11.286 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.646 9.982 -10.302 1.00 0.00 H new ATOM 1122 N HIS A 79 9.490 10.582 -7.988 1.00 0.00 N ATOM 1123 CA HIS A 79 8.619 10.497 -6.822 1.00 0.00 C ATOM 1124 C HIS A 79 7.702 11.714 -6.738 1.00 0.00 C ATOM 1125 O HIS A 79 7.944 12.731 -7.388 1.00 0.00 O ATOM 1126 CB HIS A 79 9.451 10.382 -5.544 1.00 0.00 C ATOM 1127 CG HIS A 79 10.700 9.574 -5.713 1.00 0.00 C ATOM 1128 ND1 HIS A 79 10.718 8.197 -5.661 1.00 0.00 N ATOM 1129 CD2 HIS A 79 11.980 9.958 -5.936 1.00 0.00 C ATOM 1130 CE1 HIS A 79 11.954 7.767 -5.843 1.00 0.00 C ATOM 1131 NE2 HIS A 79 12.738 8.815 -6.013 1.00 0.00 N ATOM 0 H HIS A 79 10.481 10.454 -7.784 1.00 0.00 H new ATOM 0 HA HIS A 79 8.001 9.605 -6.926 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.719 11.382 -5.203 1.00 0.00 H new ATOM 0 HB3 HIS A 79 8.840 9.932 -4.762 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.337 10.972 -6.035 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.269 6.734 -5.851 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.744 8.782 -6.175 1.00 0.00 H new ATOM 1140 N LEU A 80 6.650 11.601 -5.934 1.00 0.00 N ATOM 1141 CA LEU A 80 5.696 12.691 -5.766 1.00 0.00 C ATOM 1142 C LEU A 80 5.892 13.384 -4.422 1.00 0.00 C ATOM 1143 O LEU A 80 6.676 12.930 -3.587 1.00 0.00 O ATOM 1144 CB LEU A 80 4.264 12.167 -5.878 1.00 0.00 C ATOM 1145 CG LEU A 80 3.843 11.727 -7.282 1.00 0.00 C ATOM 1146 CD1 LEU A 80 4.270 10.292 -7.540 1.00 0.00 C ATOM 1147 CD2 LEU A 80 2.341 11.880 -7.460 1.00 0.00 C ATOM 0 H LEU A 80 6.437 10.766 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 80 5.872 13.418 -6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.148 11.322 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.581 12.945 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 80 4.341 12.369 -8.009 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.963 9.996 -8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.354 10.214 -7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.800 9.635 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.059 11.563 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.823 11.263 -6.726 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.062 12.924 -7.318 1.00 0.00 H new ATOM 1159 N TRP A 81 5.173 14.482 -4.218 1.00 0.00 N ATOM 1160 CA TRP A 81 5.264 15.237 -2.975 1.00 0.00 C ATOM 1161 C TRP A 81 3.912 15.841 -2.607 1.00 0.00 C ATOM 1162 O TRP A 81 2.983 15.841 -3.414 1.00 0.00 O ATOM 1163 CB TRP A 81 6.316 16.341 -3.098 1.00 0.00 C ATOM 1164 CG TRP A 81 5.892 17.473 -3.983 1.00 0.00 C ATOM 1165 CD1 TRP A 81 5.984 17.530 -5.344 1.00 0.00 C ATOM 1166 CD2 TRP A 81 5.313 18.715 -3.567 1.00 0.00 C ATOM 1167 NE1 TRP A 81 5.496 18.731 -5.799 1.00 0.00 N ATOM 1168 CE2 TRP A 81 5.077 19.475 -4.727 1.00 0.00 C ATOM 1169 CE3 TRP A 81 4.968 19.255 -2.325 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 4.515 20.749 -4.681 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 4.410 20.518 -2.281 1.00 0.00 C ATOM 1172 CH2 TRP A 81 4.187 21.253 -3.452 1.00 0.00 C ATOM 0 H TRP A 81 4.520 14.869 -4.899 1.00 0.00 H new ATOM 0 HA TRP A 81 5.563 14.551 -2.182 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.540 16.731 -2.105 1.00 0.00 H new ATOM 0 HB3 TRP A 81 7.239 15.911 -3.488 1.00 0.00 H new ATOM 0 HD1 TRP A 81 6.382 16.746 -5.971 1.00 0.00 H new ATOM 0 HE1 TRP A 81 5.453 19.022 -6.776 1.00 0.00 H new ATOM 0 HE3 TRP A 81 5.135 18.695 -1.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.344 21.318 -5.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 4.141 20.946 -1.327 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.747 22.237 -3.384 1.00 0.00 H new ATOM 1183 N CYS A 82 3.808 16.353 -1.384 1.00 0.00 N ATOM 1184 CA CYS A 82 2.566 16.955 -0.914 1.00 0.00 C ATOM 1185 C CYS A 82 2.844 18.052 0.110 1.00 0.00 C ATOM 1186 O CYS A 82 3.997 18.341 0.430 1.00 0.00 O ATOM 1187 CB CYS A 82 1.659 15.889 -0.299 1.00 0.00 C ATOM 1188 SG CYS A 82 2.028 15.514 1.445 1.00 0.00 S ATOM 0 H CYS A 82 4.567 16.363 -0.703 1.00 0.00 H new ATOM 0 HA CYS A 82 2.063 17.402 -1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.623 16.220 -0.377 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.746 14.973 -0.883 1.00 0.00 H new ATOM 1193 N SER A 83 1.777 18.654 0.625 1.00 0.00 N ATOM 1194 CA SER A 83 1.901 19.716 1.617 1.00 0.00 C ATOM 1195 C SER A 83 1.450 19.228 2.989 1.00 0.00 C ATOM 1196 O SER A 83 0.253 19.130 3.263 1.00 0.00 O ATOM 1197 CB SER A 83 1.073 20.933 1.197 1.00 0.00 C ATOM 1198 OG SER A 83 -0.168 20.967 1.881 1.00 0.00 O ATOM 0 H SER A 83 0.816 18.424 0.372 1.00 0.00 H new ATOM 0 HA SER A 83 2.950 20.004 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.631 21.846 1.405 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.898 20.904 0.121 1.00 0.00 H new ATOM 0 HG SER A 83 -0.455 20.052 2.084 1.00 0.00 H new ATOM 1204 N THR A 84 2.416 18.919 3.848 1.00 0.00 N ATOM 1205 CA THR A 84 2.119 18.437 5.190 1.00 0.00 C ATOM 1206 C THR A 84 1.647 19.571 6.093 1.00 0.00 C ATOM 1207 O THR A 84 2.236 19.828 7.142 1.00 0.00 O ATOM 1208 CB THR A 84 3.348 17.765 5.830 1.00 0.00 C ATOM 1209 OG1 THR A 84 4.413 18.714 5.962 1.00 0.00 O ATOM 1210 CG2 THR A 84 3.815 16.585 4.992 1.00 0.00 C ATOM 0 H THR A 84 3.411 18.994 3.638 1.00 0.00 H new ATOM 0 HA THR A 84 1.321 17.701 5.090 1.00 0.00 H new ATOM 0 HB THR A 84 3.063 17.401 6.817 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.274 18.252 5.886 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.684 16.126 5.463 1.00 0.00 H new ATOM 0 HG22 THR A 84 3.012 15.851 4.918 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.084 16.931 3.994 1.00 0.00 H new ATOM 1218 N THR A 85 0.580 20.246 5.680 1.00 0.00 N ATOM 1219 CA THR A 85 0.027 21.351 6.453 1.00 0.00 C ATOM 1220 C THR A 85 -1.027 22.110 5.656 1.00 0.00 C ATOM 1221 O THR A 85 -0.838 22.399 4.474 1.00 0.00 O ATOM 1222 CB THR A 85 1.127 22.335 6.892 1.00 0.00 C ATOM 1223 OG1 THR A 85 2.239 22.261 5.993 1.00 0.00 O ATOM 1224 CG2 THR A 85 1.592 22.028 8.308 1.00 0.00 C ATOM 0 H THR A 85 0.081 20.047 4.813 1.00 0.00 H new ATOM 0 HA THR A 85 -0.436 20.914 7.338 1.00 0.00 H new ATOM 0 HB THR A 85 0.712 23.343 6.872 1.00 0.00 H new ATOM 0 HG1 THR A 85 2.112 22.902 5.263 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.369 22.735 8.597 1.00 0.00 H new ATOM 0 HG22 THR A 85 0.750 22.114 8.994 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.991 21.014 8.348 1.00 0.00 H new ATOM 1232 N SER A 86 -2.139 22.430 6.310 1.00 0.00 N ATOM 1233 CA SER A 86 -3.225 23.156 5.662 1.00 0.00 C ATOM 1234 C SER A 86 -2.700 24.401 4.956 1.00 0.00 C ATOM 1235 O SER A 86 -2.817 24.532 3.738 1.00 0.00 O ATOM 1236 CB SER A 86 -4.289 23.548 6.690 1.00 0.00 C ATOM 1237 OG SER A 86 -4.130 24.896 7.100 1.00 0.00 O ATOM 0 H SER A 86 -2.312 22.198 7.288 1.00 0.00 H new ATOM 0 HA SER A 86 -3.675 22.500 4.917 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.282 23.410 6.262 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.221 22.891 7.557 1.00 0.00 H new ATOM 0 HG SER A 86 -4.822 25.122 7.755 1.00 0.00 H new ATOM 1243 N ASN A 87 -2.120 25.313 5.728 1.00 0.00 N ATOM 1244 CA ASN A 87 -1.574 26.549 5.177 1.00 0.00 C ATOM 1245 C ASN A 87 -0.166 26.326 4.637 1.00 0.00 C ATOM 1246 O ASN A 87 0.797 26.923 5.119 1.00 0.00 O ATOM 1247 CB ASN A 87 -1.557 27.645 6.243 1.00 0.00 C ATOM 1248 CG ASN A 87 -2.770 27.587 7.151 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -3.876 27.953 6.754 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -2.568 27.127 8.381 1.00 0.00 N ATOM 0 H ASN A 87 -2.015 25.220 6.738 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.215 26.865 4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.652 27.550 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.516 28.620 5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.347 27.067 9.037 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.634 26.834 8.669 1.00 0.00 H new ATOM 1257 N TYR A 88 -0.053 25.463 3.632 1.00 0.00 N ATOM 1258 CA TYR A 88 1.239 25.160 3.026 1.00 0.00 C ATOM 1259 C TYR A 88 2.036 26.435 2.775 1.00 0.00 C ATOM 1260 O TYR A 88 3.181 26.559 3.209 1.00 0.00 O ATOM 1261 CB TYR A 88 1.042 24.402 1.712 1.00 0.00 C ATOM 1262 CG TYR A 88 2.310 24.258 0.900 1.00 0.00 C ATOM 1263 CD1 TYR A 88 3.337 23.425 1.322 1.00 0.00 C ATOM 1264 CD2 TYR A 88 2.477 24.957 -0.290 1.00 0.00 C ATOM 1265 CE1 TYR A 88 4.497 23.292 0.584 1.00 0.00 C ATOM 1266 CE2 TYR A 88 3.634 24.829 -1.034 1.00 0.00 C ATOM 1267 CZ TYR A 88 4.641 23.996 -0.594 1.00 0.00 C ATOM 1268 OH TYR A 88 5.794 23.865 -1.332 1.00 0.00 O ATOM 0 H TYR A 88 -0.840 24.961 3.220 1.00 0.00 H new ATOM 0 HA TYR A 88 1.800 24.534 3.720 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.646 23.410 1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.293 24.920 1.112 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.227 22.872 2.243 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.690 25.610 -0.638 1.00 0.00 H new ATOM 0 HE1 TYR A 88 5.287 22.640 0.927 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.749 25.379 -1.956 1.00 0.00 H new ATOM 0 HH TYR A 88 6.564 24.128 -0.785 1.00 0.00 H new ATOM 1278 N GLU A 89 1.424 27.382 2.072 1.00 0.00 N ATOM 1279 CA GLU A 89 2.079 28.648 1.765 1.00 0.00 C ATOM 1280 C GLU A 89 2.616 29.303 3.032 1.00 0.00 C ATOM 1281 O GLU A 89 3.735 29.817 3.052 1.00 0.00 O ATOM 1282 CB GLU A 89 1.104 29.594 1.062 1.00 0.00 C ATOM 1283 CG GLU A 89 0.794 29.195 -0.371 1.00 0.00 C ATOM 1284 CD GLU A 89 0.088 27.856 -0.464 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -0.593 27.475 0.512 1.00 0.00 O ATOM 1286 OE2 GLU A 89 0.213 27.191 -1.513 1.00 0.00 O ATOM 0 H GLU A 89 0.476 27.297 1.704 1.00 0.00 H new ATOM 0 HA GLU A 89 2.918 28.442 1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.174 29.631 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.521 30.601 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.172 29.962 -0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.722 29.153 -0.941 1.00 0.00 H new ATOM 1293 N GLN A 90 1.810 29.282 4.089 1.00 0.00 N ATOM 1294 CA GLN A 90 2.203 29.874 5.363 1.00 0.00 C ATOM 1295 C GLN A 90 3.316 29.066 6.022 1.00 0.00 C ATOM 1296 O GLN A 90 4.467 29.499 6.069 1.00 0.00 O ATOM 1297 CB GLN A 90 0.998 29.963 6.301 1.00 0.00 C ATOM 1298 CG GLN A 90 1.348 30.452 7.697 1.00 0.00 C ATOM 1299 CD GLN A 90 0.497 31.627 8.134 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -0.701 31.484 8.381 1.00 0.00 O ATOM 1301 NE2 GLN A 90 1.111 32.800 8.231 1.00 0.00 N ATOM 0 H GLN A 90 0.881 28.861 4.088 1.00 0.00 H new ATOM 0 HA GLN A 90 2.578 30.878 5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.258 30.634 5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.533 28.980 6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.223 29.634 8.406 1.00 0.00 H new ATOM 0 HG3 GLN A 90 2.399 30.739 7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.106 32.874 8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.588 33.627 8.520 1.00 0.00 H new ATOM 1310 N ASP A 91 2.965 27.889 6.531 1.00 0.00 N ATOM 1311 CA ASP A 91 3.935 27.020 7.189 1.00 0.00 C ATOM 1312 C ASP A 91 5.005 26.557 6.206 1.00 0.00 C ATOM 1313 O ASP A 91 6.199 26.744 6.440 1.00 0.00 O ATOM 1314 CB ASP A 91 3.232 25.808 7.803 1.00 0.00 C ATOM 1315 CG ASP A 91 2.038 26.200 8.650 1.00 0.00 C ATOM 1316 OD1 ASP A 91 2.247 26.697 9.777 1.00 0.00 O ATOM 1317 OD2 ASP A 91 0.893 26.013 8.188 1.00 0.00 O ATOM 0 H ASP A 91 2.016 27.515 6.501 1.00 0.00 H new ATOM 0 HA ASP A 91 4.418 27.591 7.982 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.905 25.139 7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.942 25.252 8.416 1.00 0.00 H new ATOM 1322 N GLN A 92 4.569 25.952 5.106 1.00 0.00 N ATOM 1323 CA GLN A 92 5.487 25.461 4.085 1.00 0.00 C ATOM 1324 C GLN A 92 5.979 24.058 4.424 1.00 0.00 C ATOM 1325 O GLN A 92 7.178 23.785 4.400 1.00 0.00 O ATOM 1326 CB GLN A 92 6.677 26.412 3.935 1.00 0.00 C ATOM 1327 CG GLN A 92 7.449 26.229 2.637 1.00 0.00 C ATOM 1328 CD GLN A 92 6.587 25.691 1.511 1.00 0.00 C ATOM 1329 OE1 GLN A 92 6.914 24.679 0.893 1.00 0.00 O ATOM 1330 NE2 GLN A 92 5.477 26.368 1.240 1.00 0.00 N ATOM 0 H GLN A 92 3.584 25.790 4.899 1.00 0.00 H new ATOM 0 HA GLN A 92 4.947 25.417 3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 92 6.318 27.440 3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.356 26.265 4.775 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.876 27.185 2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.282 25.547 2.808 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.244 27.203 1.778 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.857 26.053 0.494 1.00 0.00 H new ATOM 1339 N LYS A 93 5.040 23.172 4.736 1.00 0.00 N ATOM 1340 CA LYS A 93 5.372 21.793 5.076 1.00 0.00 C ATOM 1341 C LYS A 93 5.028 20.858 3.924 1.00 0.00 C ATOM 1342 O LYS A 93 3.886 20.818 3.464 1.00 0.00 O ATOM 1343 CB LYS A 93 4.626 21.363 6.340 1.00 0.00 C ATOM 1344 CG LYS A 93 5.495 20.605 7.332 1.00 0.00 C ATOM 1345 CD LYS A 93 6.528 21.516 7.976 1.00 0.00 C ATOM 1346 CE LYS A 93 6.614 21.287 9.476 1.00 0.00 C ATOM 1347 NZ LYS A 93 7.681 22.114 10.104 1.00 0.00 N ATOM 0 H LYS A 93 4.043 23.384 4.761 1.00 0.00 H new ATOM 0 HA LYS A 93 6.445 21.736 5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.218 22.247 6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.780 20.736 6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.866 20.163 8.105 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.999 19.784 6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.504 21.339 7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.270 22.557 7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.654 21.524 9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.810 20.233 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.707 21.929 11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.601 21.871 9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.481 23.121 9.940 1.00 0.00 H new ATOM 1361 N TYR A 94 6.021 20.111 3.455 1.00 0.00 N ATOM 1362 CA TYR A 94 5.819 19.181 2.350 1.00 0.00 C ATOM 1363 C TYR A 94 6.572 17.876 2.585 1.00 0.00 C ATOM 1364 O TYR A 94 7.490 17.815 3.405 1.00 0.00 O ATOM 1365 CB TYR A 94 6.274 19.818 1.036 1.00 0.00 C ATOM 1366 CG TYR A 94 7.776 19.897 0.888 1.00 0.00 C ATOM 1367 CD1 TYR A 94 8.542 18.744 0.762 1.00 0.00 C ATOM 1368 CD2 TYR A 94 8.429 21.123 0.874 1.00 0.00 C ATOM 1369 CE1 TYR A 94 9.916 18.812 0.627 1.00 0.00 C ATOM 1370 CE2 TYR A 94 9.803 21.199 0.740 1.00 0.00 C ATOM 1371 CZ TYR A 94 10.541 20.041 0.617 1.00 0.00 C ATOM 1372 OH TYR A 94 11.908 20.112 0.483 1.00 0.00 O ATOM 0 H TYR A 94 6.973 20.131 3.822 1.00 0.00 H new ATOM 0 HA TYR A 94 4.755 18.954 2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.865 19.245 0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.857 20.823 0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.056 17.780 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.854 22.032 0.969 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.497 17.907 0.530 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.295 22.160 0.732 1.00 0.00 H new ATOM 0 HH TYR A 94 12.189 21.051 0.494 1.00 0.00 H new ATOM 1382 N SER A 95 6.178 16.835 1.859 1.00 0.00 N ATOM 1383 CA SER A 95 6.815 15.529 1.984 1.00 0.00 C ATOM 1384 C SER A 95 6.638 14.715 0.705 1.00 0.00 C ATOM 1385 O SER A 95 5.579 14.747 0.080 1.00 0.00 O ATOM 1386 CB SER A 95 6.230 14.765 3.174 1.00 0.00 C ATOM 1387 OG SER A 95 6.096 15.608 4.305 1.00 0.00 O ATOM 0 H SER A 95 5.420 16.870 1.177 1.00 0.00 H new ATOM 0 HA SER A 95 7.881 15.685 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.256 14.356 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.874 13.921 3.420 1.00 0.00 H new ATOM 0 HG SER A 95 5.764 15.086 5.065 1.00 0.00 H new ATOM 1393 N PHE A 96 7.683 13.988 0.324 1.00 0.00 N ATOM 1394 CA PHE A 96 7.642 13.167 -0.881 1.00 0.00 C ATOM 1395 C PHE A 96 6.812 11.908 -0.656 1.00 0.00 C ATOM 1396 O PHE A 96 6.925 11.252 0.379 1.00 0.00 O ATOM 1397 CB PHE A 96 9.060 12.787 -1.311 1.00 0.00 C ATOM 1398 CG PHE A 96 10.087 13.830 -0.976 1.00 0.00 C ATOM 1399 CD1 PHE A 96 9.859 15.164 -1.271 1.00 0.00 C ATOM 1400 CD2 PHE A 96 11.278 13.476 -0.363 1.00 0.00 C ATOM 1401 CE1 PHE A 96 10.801 16.126 -0.962 1.00 0.00 C ATOM 1402 CE2 PHE A 96 12.224 14.434 -0.053 1.00 0.00 C ATOM 1403 CZ PHE A 96 11.985 15.761 -0.353 1.00 0.00 C ATOM 0 H PHE A 96 8.567 13.950 0.831 1.00 0.00 H new ATOM 0 HA PHE A 96 7.173 13.751 -1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 96 9.337 11.848 -0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.070 12.611 -2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.935 15.455 -1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.469 12.440 -0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.611 17.163 -1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.149 14.146 0.423 1.00 0.00 H new ATOM 0 HZ PHE A 96 12.723 16.512 -0.112 1.00 0.00 H new ATOM 1413 N CYS A 97 5.977 11.575 -1.636 1.00 0.00 N ATOM 1414 CA CYS A 97 5.126 10.393 -1.548 1.00 0.00 C ATOM 1415 C CYS A 97 5.853 9.160 -2.070 1.00 0.00 C ATOM 1416 O CYS A 97 7.058 9.195 -2.320 1.00 0.00 O ATOM 1417 CB CYS A 97 3.837 10.605 -2.343 1.00 0.00 C ATOM 1418 SG CYS A 97 3.238 12.325 -2.347 1.00 0.00 S ATOM 0 H CYS A 97 5.872 12.107 -2.500 1.00 0.00 H new ATOM 0 HA CYS A 97 4.879 10.234 -0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.002 10.287 -3.372 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.059 9.962 -1.931 1.00 0.00 H new ATOM 1423 N THR A 98 5.110 8.072 -2.237 1.00 0.00 N ATOM 1424 CA THR A 98 5.679 6.829 -2.736 1.00 0.00 C ATOM 1425 C THR A 98 5.534 6.730 -4.249 1.00 0.00 C ATOM 1426 O THR A 98 4.431 6.836 -4.786 1.00 0.00 O ATOM 1427 CB THR A 98 5.012 5.601 -2.090 1.00 0.00 C ATOM 1428 OG1 THR A 98 3.814 5.995 -1.409 1.00 0.00 O ATOM 1429 CG2 THR A 98 5.958 4.924 -1.110 1.00 0.00 C ATOM 0 H THR A 98 4.112 8.027 -2.034 1.00 0.00 H new ATOM 0 HA THR A 98 6.736 6.839 -2.471 1.00 0.00 H new ATOM 0 HB THR A 98 4.764 4.892 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.370 5.202 -1.043 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.465 4.059 -0.666 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.856 4.599 -1.636 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.233 5.628 -0.324 1.00 0.00 H new ATOM 1437 N ASP A 99 6.655 6.526 -4.930 1.00 0.00 N ATOM 1438 CA ASP A 99 6.658 6.413 -6.384 1.00 0.00 C ATOM 1439 C ASP A 99 5.819 5.225 -6.840 1.00 0.00 C ATOM 1440 O ASP A 99 6.353 4.215 -7.300 1.00 0.00 O ATOM 1441 CB ASP A 99 8.090 6.269 -6.901 1.00 0.00 C ATOM 1442 CG ASP A 99 8.902 5.278 -6.089 1.00 0.00 C ATOM 1443 OD1 ASP A 99 8.370 4.755 -5.086 1.00 0.00 O ATOM 1444 OD2 ASP A 99 10.068 5.023 -6.456 1.00 0.00 O ATOM 0 H ASP A 99 7.575 6.435 -4.499 1.00 0.00 H new ATOM 0 HA ASP A 99 6.219 7.322 -6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.067 5.948 -7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.581 7.242 -6.878 1.00 0.00 H new ATOM 1449 N HIS A 100 4.502 5.353 -6.710 1.00 0.00 N ATOM 1450 CA HIS A 100 3.585 4.290 -7.109 1.00 0.00 C ATOM 1451 C HIS A 100 3.399 3.279 -5.983 1.00 0.00 C ATOM 1452 O HIS A 100 3.568 2.077 -6.182 1.00 0.00 O ATOM 1453 CB HIS A 100 4.102 3.585 -8.364 1.00 0.00 C ATOM 1454 CG HIS A 100 3.043 3.348 -9.396 1.00 0.00 C ATOM 1455 ND1 HIS A 100 3.111 2.331 -10.325 1.00 0.00 N ATOM 1456 CD2 HIS A 100 1.885 4.004 -9.644 1.00 0.00 C ATOM 1457 CE1 HIS A 100 2.042 2.371 -11.099 1.00 0.00 C ATOM 1458 NE2 HIS A 100 1.281 3.376 -10.706 1.00 0.00 N ATOM 0 H HIS A 100 4.045 6.183 -6.331 1.00 0.00 H new ATOM 0 HA HIS A 100 2.618 4.743 -7.328 1.00 0.00 H new ATOM 0 HB2 HIS A 100 4.900 4.183 -8.804 1.00 0.00 H new ATOM 0 HB3 HIS A 100 4.541 2.629 -8.079 1.00 0.00 H new ATOM 0 HD2 HIS A 100 1.507 4.861 -9.107 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.827 1.697 -11.915 1.00 0.00 H new ATOM 0 HE2 HIS A 100 0.389 3.643 -11.123 1.00 0.00 H new ATOM 1467 N THR A 101 3.049 3.776 -4.800 1.00 0.00 N ATOM 1468 CA THR A 101 2.838 2.916 -3.643 1.00 0.00 C ATOM 1469 C THR A 101 2.206 1.591 -4.053 1.00 0.00 C ATOM 1470 O THR A 101 1.521 1.507 -5.072 1.00 0.00 O ATOM 1471 CB THR A 101 1.940 3.596 -2.594 1.00 0.00 C ATOM 1472 OG1 THR A 101 2.086 2.944 -1.326 1.00 0.00 O ATOM 1473 CG2 THR A 101 0.481 3.558 -3.023 1.00 0.00 C ATOM 0 H THR A 101 2.906 4.770 -4.619 1.00 0.00 H new ATOM 0 HA THR A 101 3.818 2.729 -3.205 1.00 0.00 H new ATOM 0 HB THR A 101 2.249 4.637 -2.505 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.513 3.384 -0.664 1.00 0.00 H new ATOM 0 HG21 THR A 101 -0.134 4.044 -2.266 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.367 4.080 -3.973 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.162 2.522 -3.138 1.00 0.00 H new ATOM 1481 N VAL A 102 2.442 0.556 -3.254 1.00 0.00 N ATOM 1482 CA VAL A 102 1.897 -0.765 -3.536 1.00 0.00 C ATOM 1483 C VAL A 102 1.581 -1.516 -2.246 1.00 0.00 C ATOM 1484 O VAL A 102 2.349 -1.471 -1.285 1.00 0.00 O ATOM 1485 CB VAL A 102 2.873 -1.603 -4.384 1.00 0.00 C ATOM 1486 CG1 VAL A 102 4.292 -1.467 -3.852 1.00 0.00 C ATOM 1487 CG2 VAL A 102 2.444 -3.062 -4.419 1.00 0.00 C ATOM 0 H VAL A 102 3.007 0.607 -2.406 1.00 0.00 H new ATOM 0 HA VAL A 102 0.975 -0.616 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 102 2.853 -1.223 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.968 -2.065 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.597 -0.421 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.329 -1.817 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.148 -3.634 -5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.429 -3.461 -3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.447 -3.138 -4.854 1.00 0.00 H new ATOM 1497 N LEU A 103 0.446 -2.206 -2.236 1.00 0.00 N ATOM 1498 CA LEU A 103 0.023 -2.968 -1.067 1.00 0.00 C ATOM 1499 C LEU A 103 -0.186 -4.436 -1.421 1.00 0.00 C ATOM 1500 O LEU A 103 -0.994 -4.770 -2.287 1.00 0.00 O ATOM 1501 CB LEU A 103 -1.263 -2.377 -0.485 1.00 0.00 C ATOM 1502 CG LEU A 103 -1.087 -1.079 0.306 1.00 0.00 C ATOM 1503 CD1 LEU A 103 0.314 -0.987 0.895 1.00 0.00 C ATOM 1504 CD2 LEU A 103 -1.376 0.125 -0.576 1.00 0.00 C ATOM 0 H LEU A 103 -0.198 -2.253 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 103 0.812 -2.906 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.961 -2.193 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.723 -3.120 0.166 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.801 -1.084 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.414 -0.056 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.483 -1.830 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.049 -1.009 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.246 1.040 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.688 0.130 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.401 0.070 -0.942 1.00 0.00 H new ATOM 1516 N VAL A 104 0.554 -5.305 -0.743 1.00 0.00 N ATOM 1517 CA VAL A 104 0.462 -6.742 -0.977 1.00 0.00 C ATOM 1518 C VAL A 104 0.008 -7.472 0.287 1.00 0.00 C ATOM 1519 O VAL A 104 0.493 -7.195 1.383 1.00 0.00 O ATOM 1520 CB VAL A 104 1.820 -7.313 -1.452 1.00 0.00 C ATOM 1521 CG1 VAL A 104 1.927 -8.807 -1.175 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.026 -7.027 -2.932 1.00 0.00 C ATOM 0 H VAL A 104 1.227 -5.039 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.279 -6.902 -1.760 1.00 0.00 H new ATOM 0 HB VAL A 104 2.607 -6.816 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.893 -9.173 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.834 -8.986 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.130 -9.333 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.985 -7.435 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.225 -7.491 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.016 -5.950 -3.099 1.00 0.00 H new ATOM 1532 N GLN A 105 -0.921 -8.407 0.127 1.00 0.00 N ATOM 1533 CA GLN A 105 -1.432 -9.174 1.257 1.00 0.00 C ATOM 1534 C GLN A 105 -0.680 -10.494 1.400 1.00 0.00 C ATOM 1535 O GLN A 105 -0.971 -11.463 0.698 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.928 -9.441 1.086 1.00 0.00 C ATOM 1537 CG GLN A 105 -3.793 -8.740 2.122 1.00 0.00 C ATOM 1538 CD GLN A 105 -4.997 -9.567 2.531 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -5.432 -10.456 1.799 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -5.543 -9.275 3.706 1.00 0.00 N ATOM 0 H GLN A 105 -1.335 -8.652 -0.772 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.278 -8.587 2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.235 -9.119 0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.106 -10.515 1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.191 -8.520 3.004 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.132 -7.785 1.721 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.149 -8.530 4.280 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.356 -9.796 4.034 1.00 0.00 H new ATOM 1549 N THR A 106 0.290 -10.526 2.310 1.00 0.00 N ATOM 1550 CA THR A 106 1.081 -11.730 2.537 1.00 0.00 C ATOM 1551 C THR A 106 0.798 -12.332 3.907 1.00 0.00 C ATOM 1552 O THR A 106 0.340 -11.643 4.819 1.00 0.00 O ATOM 1553 CB THR A 106 2.590 -11.447 2.422 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.021 -10.637 3.522 1.00 0.00 O ATOM 1555 CG2 THR A 106 2.909 -10.742 1.113 1.00 0.00 C ATOM 0 H THR A 106 0.546 -9.734 2.900 1.00 0.00 H new ATOM 0 HA THR A 106 0.790 -12.440 1.763 1.00 0.00 H new ATOM 0 HB THR A 106 3.119 -12.400 2.443 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.364 -9.928 3.683 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.981 -10.552 1.054 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.605 -11.372 0.277 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.370 -9.796 1.069 1.00 0.00 H new ATOM 1563 N ARG A 107 1.081 -13.624 4.044 1.00 0.00 N ATOM 1564 CA ARG A 107 0.862 -14.324 5.304 1.00 0.00 C ATOM 1565 C ARG A 107 1.593 -15.664 5.316 1.00 0.00 C ATOM 1566 O ARG A 107 1.624 -16.372 4.311 1.00 0.00 O ATOM 1567 CB ARG A 107 -0.634 -14.544 5.536 1.00 0.00 C ATOM 1568 CG ARG A 107 -0.940 -15.427 6.735 1.00 0.00 C ATOM 1569 CD ARG A 107 -2.261 -16.159 6.566 1.00 0.00 C ATOM 1570 NE ARG A 107 -2.097 -17.430 5.867 1.00 0.00 N ATOM 1571 CZ ARG A 107 -1.398 -18.452 6.352 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -0.803 -18.350 7.531 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -1.296 -19.576 5.656 1.00 0.00 N ATOM 0 H ARG A 107 1.462 -14.206 3.298 1.00 0.00 H new ATOM 0 HA ARG A 107 1.260 -13.706 6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.118 -13.577 5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.069 -14.994 4.644 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.136 -16.151 6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -0.974 -14.817 7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.704 -16.339 7.546 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.957 -15.528 6.013 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.543 -17.540 4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.881 -17.487 8.068 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -0.267 -19.135 7.901 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.754 -19.657 4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.760 -20.360 6.028 1.00 0.00 H new ATOM 1587 N GLY A 108 2.179 -16.002 6.459 1.00 0.00 N ATOM 1588 CA GLY A 108 2.900 -17.256 6.579 1.00 0.00 C ATOM 1589 C GLY A 108 4.143 -17.133 7.437 1.00 0.00 C ATOM 1590 O GLY A 108 4.141 -17.524 8.604 1.00 0.00 O ATOM 0 H GLY A 108 2.168 -15.431 7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.240 -18.011 7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.182 -17.606 5.586 1.00 0.00 H new ATOM 1594 N GLY A 109 5.207 -16.588 6.857 1.00 0.00 N ATOM 1595 CA GLY A 109 6.450 -16.425 7.589 1.00 0.00 C ATOM 1596 C GLY A 109 6.235 -15.862 8.982 1.00 0.00 C ATOM 1597 O GLY A 109 5.844 -16.586 9.897 1.00 0.00 O ATOM 0 H GLY A 109 5.231 -16.256 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.953 -17.389 7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.112 -15.763 7.031 1.00 0.00 H new ATOM 1601 N ASN A 110 6.494 -14.569 9.141 1.00 0.00 N ATOM 1602 CA ASN A 110 6.329 -13.909 10.431 1.00 0.00 C ATOM 1603 C ASN A 110 5.327 -12.763 10.336 1.00 0.00 C ATOM 1604 O ASN A 110 4.683 -12.405 11.323 1.00 0.00 O ATOM 1605 CB ASN A 110 7.675 -13.383 10.933 1.00 0.00 C ATOM 1606 CG ASN A 110 8.708 -14.484 11.079 1.00 0.00 C ATOM 1607 OD1 ASN A 110 9.128 -14.814 12.188 1.00 0.00 O ATOM 1608 ND2 ASN A 110 9.123 -15.058 9.955 1.00 0.00 N ATOM 0 H ASN A 110 6.819 -13.957 8.393 1.00 0.00 H new ATOM 0 HA ASN A 110 5.945 -14.644 11.138 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.048 -12.628 10.241 1.00 0.00 H new ATOM 0 HB3 ASN A 110 7.534 -12.891 11.895 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.817 -15.804 9.990 1.00 0.00 H new ATOM 0 HD22 ASN A 110 8.747 -14.752 9.057 1.00 0.00 H new ATOM 1615 N SER A 111 5.198 -12.191 9.143 1.00 0.00 N ATOM 1616 CA SER A 111 4.273 -11.087 8.921 1.00 0.00 C ATOM 1617 C SER A 111 2.833 -11.587 8.872 1.00 0.00 C ATOM 1618 O SER A 111 2.126 -11.373 7.887 1.00 0.00 O ATOM 1619 CB SER A 111 4.615 -10.365 7.617 1.00 0.00 C ATOM 1620 OG SER A 111 5.195 -9.097 7.872 1.00 0.00 O ATOM 0 H SER A 111 5.723 -12.474 8.316 1.00 0.00 H new ATOM 0 HA SER A 111 4.371 -10.390 9.753 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.305 -10.973 7.032 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.712 -10.242 7.019 1.00 0.00 H new ATOM 0 HG SER A 111 5.628 -9.106 8.751 1.00 0.00 H new ATOM 1626 N ASN A 112 2.404 -12.253 9.941 1.00 0.00 N ATOM 1627 CA ASN A 112 1.047 -12.782 10.020 1.00 0.00 C ATOM 1628 C ASN A 112 0.062 -11.846 9.331 1.00 0.00 C ATOM 1629 O ASN A 112 -0.453 -10.910 9.944 1.00 0.00 O ATOM 1630 CB ASN A 112 0.639 -12.984 11.481 1.00 0.00 C ATOM 1631 CG ASN A 112 1.374 -14.139 12.133 1.00 0.00 C ATOM 1632 OD1 ASN A 112 1.617 -15.169 11.503 1.00 0.00 O ATOM 1633 ND2 ASN A 112 1.731 -13.973 13.401 1.00 0.00 N ATOM 0 H ASN A 112 2.977 -12.439 10.764 1.00 0.00 H new ATOM 0 HA ASN A 112 1.027 -13.745 9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.837 -12.069 12.040 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.435 -13.164 11.534 1.00 0.00 H new ATOM 0 HD21 ASN A 112 2.228 -14.716 13.892 1.00 0.00 H new ATOM 0 HD22 ASN A 112 1.509 -13.102 13.884 1.00 0.00 H new ATOM 1640 N GLY A 113 -0.191 -12.097 8.051 1.00 0.00 N ATOM 1641 CA GLY A 113 -1.109 -11.261 7.302 1.00 0.00 C ATOM 1642 C GLY A 113 -0.669 -9.811 7.284 1.00 0.00 C ATOM 1643 O GLY A 113 -1.427 -8.920 7.668 1.00 0.00 O ATOM 0 H GLY A 113 0.223 -12.863 7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.184 -11.630 6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.105 -11.333 7.740 1.00 0.00 H new ATOM 1647 N ALA A 114 0.562 -9.574 6.842 1.00 0.00 N ATOM 1648 CA ALA A 114 1.106 -8.224 6.782 1.00 0.00 C ATOM 1649 C ALA A 114 1.039 -7.664 5.367 1.00 0.00 C ATOM 1650 O ALA A 114 1.424 -8.328 4.405 1.00 0.00 O ATOM 1651 CB ALA A 114 2.540 -8.211 7.290 1.00 0.00 C ATOM 0 H ALA A 114 1.201 -10.301 6.520 1.00 0.00 H new ATOM 0 HA ALA A 114 0.498 -7.586 7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.935 -7.196 7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.563 -8.559 8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.151 -8.869 6.672 1.00 0.00 H new ATOM 1657 N LEU A 115 0.550 -6.435 5.249 1.00 0.00 N ATOM 1658 CA LEU A 115 0.434 -5.779 3.954 1.00 0.00 C ATOM 1659 C LEU A 115 1.812 -5.500 3.365 1.00 0.00 C ATOM 1660 O LEU A 115 2.349 -4.402 3.505 1.00 0.00 O ATOM 1661 CB LEU A 115 -0.357 -4.473 4.092 1.00 0.00 C ATOM 1662 CG LEU A 115 -0.945 -3.914 2.792 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -1.172 -5.024 1.778 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -2.243 -3.175 3.071 1.00 0.00 C ATOM 0 H LEU A 115 0.227 -5.873 6.036 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.100 -6.446 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.172 -4.636 4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.297 -3.718 4.528 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.228 -3.210 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.590 -4.602 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.223 -5.510 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.866 -5.757 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.647 -2.784 2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.963 -3.860 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -2.052 -2.350 3.757 1.00 0.00 H new ATOM 1676 N CYS A 116 2.380 -6.508 2.707 1.00 0.00 N ATOM 1677 CA CYS A 116 3.696 -6.381 2.095 1.00 0.00 C ATOM 1678 C CYS A 116 3.912 -4.979 1.541 1.00 0.00 C ATOM 1679 O CYS A 116 2.958 -4.253 1.264 1.00 0.00 O ATOM 1680 CB CYS A 116 3.867 -7.410 0.977 1.00 0.00 C ATOM 1681 SG CYS A 116 5.082 -8.715 1.347 1.00 0.00 S ATOM 0 H CYS A 116 1.946 -7.423 2.585 1.00 0.00 H new ATOM 0 HA CYS A 116 4.441 -6.565 2.869 1.00 0.00 H new ATOM 0 HB2 CYS A 116 2.902 -7.874 0.774 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.170 -6.894 0.066 1.00 0.00 H new ATOM 1686 N HIS A 117 5.177 -4.612 1.381 1.00 0.00 N ATOM 1687 CA HIS A 117 5.535 -3.298 0.861 1.00 0.00 C ATOM 1688 C HIS A 117 6.573 -3.423 -0.250 1.00 0.00 C ATOM 1689 O HIS A 117 7.768 -3.564 0.014 1.00 0.00 O ATOM 1690 CB HIS A 117 6.064 -2.410 1.996 1.00 0.00 C ATOM 1691 CG HIS A 117 7.048 -1.368 1.554 1.00 0.00 C ATOM 1692 ND1 HIS A 117 6.675 -0.111 1.129 1.00 0.00 N ATOM 1693 CD2 HIS A 117 8.399 -1.405 1.475 1.00 0.00 C ATOM 1694 CE1 HIS A 117 7.754 0.581 0.809 1.00 0.00 C ATOM 1695 NE2 HIS A 117 8.812 -0.182 1.010 1.00 0.00 N ATOM 0 H HIS A 117 5.974 -5.207 1.604 1.00 0.00 H new ATOM 0 HA HIS A 117 4.643 -2.835 0.440 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.221 -1.916 2.479 1.00 0.00 H new ATOM 0 HB3 HIS A 117 6.535 -3.043 2.748 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.033 -2.241 1.730 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.768 1.598 0.445 1.00 0.00 H new ATOM 0 HE2 HIS A 117 9.780 0.093 0.846 1.00 0.00 H new ATOM 1704 N PHE A 118 6.110 -3.368 -1.494 1.00 0.00 N ATOM 1705 CA PHE A 118 6.995 -3.474 -2.645 1.00 0.00 C ATOM 1706 C PHE A 118 7.468 -2.095 -3.098 1.00 0.00 C ATOM 1707 O PHE A 118 6.713 -1.123 -3.055 1.00 0.00 O ATOM 1708 CB PHE A 118 6.284 -4.184 -3.799 1.00 0.00 C ATOM 1709 CG PHE A 118 6.171 -5.670 -3.613 1.00 0.00 C ATOM 1710 CD1 PHE A 118 5.074 -6.220 -2.969 1.00 0.00 C ATOM 1711 CD2 PHE A 118 7.159 -6.518 -4.086 1.00 0.00 C ATOM 1712 CE1 PHE A 118 4.965 -7.588 -2.800 1.00 0.00 C ATOM 1713 CE2 PHE A 118 7.056 -7.886 -3.920 1.00 0.00 C ATOM 1714 CZ PHE A 118 5.958 -8.421 -3.277 1.00 0.00 C ATOM 0 H PHE A 118 5.125 -3.250 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 118 7.866 -4.059 -2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.285 -3.764 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.822 -3.982 -4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 118 4.295 -5.572 -2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 118 8.020 -6.105 -4.591 1.00 0.00 H new ATOM 0 HE1 PHE A 118 4.105 -8.004 -2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 118 7.834 -8.536 -4.293 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.875 -9.490 -3.147 1.00 0.00 H new ATOM 1724 N PRO A 119 8.730 -1.998 -3.536 1.00 0.00 N ATOM 1725 CA PRO A 119 9.639 -3.137 -3.594 1.00 0.00 C ATOM 1726 C PRO A 119 10.375 -3.362 -2.277 1.00 0.00 C ATOM 1727 O PRO A 119 10.665 -2.413 -1.548 1.00 0.00 O ATOM 1728 CB PRO A 119 10.614 -2.720 -4.690 1.00 0.00 C ATOM 1729 CG PRO A 119 10.701 -1.234 -4.566 1.00 0.00 C ATOM 1730 CD PRO A 119 9.373 -0.763 -4.016 1.00 0.00 C ATOM 0 HA PRO A 119 9.122 -4.077 -3.785 1.00 0.00 H new ATOM 0 HB2 PRO A 119 11.589 -3.188 -4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 119 10.254 -3.016 -5.675 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.517 -0.949 -3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.903 -0.776 -5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 119 9.508 -0.043 -3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 119 8.774 -0.273 -4.784 1.00 0.00 H new ATOM 1738 N PHE A 120 10.677 -4.621 -1.980 1.00 0.00 N ATOM 1739 CA PHE A 120 11.382 -4.969 -0.751 1.00 0.00 C ATOM 1740 C PHE A 120 12.849 -5.267 -1.040 1.00 0.00 C ATOM 1741 O PHE A 120 13.252 -5.380 -2.197 1.00 0.00 O ATOM 1742 CB PHE A 120 10.724 -6.178 -0.085 1.00 0.00 C ATOM 1743 CG PHE A 120 10.859 -7.448 -0.877 1.00 0.00 C ATOM 1744 CD1 PHE A 120 9.977 -7.732 -1.908 1.00 0.00 C ATOM 1745 CD2 PHE A 120 11.866 -8.356 -0.591 1.00 0.00 C ATOM 1746 CE1 PHE A 120 10.099 -8.899 -2.639 1.00 0.00 C ATOM 1747 CE2 PHE A 120 11.991 -9.524 -1.317 1.00 0.00 C ATOM 1748 CZ PHE A 120 11.107 -9.796 -2.343 1.00 0.00 C ATOM 0 H PHE A 120 10.445 -5.418 -2.573 1.00 0.00 H new ATOM 0 HA PHE A 120 11.327 -4.118 -0.072 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.166 -6.325 0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 120 9.666 -5.966 0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.187 -7.035 -2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.561 -8.148 0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.407 -9.109 -3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.779 -10.224 -1.083 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.204 -10.708 -2.913 1.00 0.00 H new ATOM 1758 N LEU A 121 13.647 -5.392 0.016 1.00 0.00 N ATOM 1759 CA LEU A 121 15.068 -5.676 -0.143 1.00 0.00 C ATOM 1760 C LEU A 121 15.433 -7.017 0.483 1.00 0.00 C ATOM 1761 O LEU A 121 15.165 -7.263 1.659 1.00 0.00 O ATOM 1762 CB LEU A 121 15.913 -4.561 0.484 1.00 0.00 C ATOM 1763 CG LEU A 121 17.384 -4.509 0.044 1.00 0.00 C ATOM 1764 CD1 LEU A 121 17.639 -5.407 -1.154 1.00 0.00 C ATOM 1765 CD2 LEU A 121 17.792 -3.082 -0.281 1.00 0.00 C ATOM 0 H LEU A 121 13.337 -5.302 0.983 1.00 0.00 H new ATOM 0 HA LEU A 121 15.280 -5.725 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.449 -3.603 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.881 -4.673 1.568 1.00 0.00 H new ATOM 0 HG LEU A 121 17.988 -4.873 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 121 18.690 -5.345 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 121 17.393 -6.437 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 121 17.018 -5.084 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 121 18.837 -3.064 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 121 17.167 -2.700 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 121 17.665 -2.457 0.603 1.00 0.00 H new ATOM 1777 N TYR A 122 16.051 -7.880 -0.316 1.00 0.00 N ATOM 1778 CA TYR A 122 16.463 -9.199 0.149 1.00 0.00 C ATOM 1779 C TYR A 122 17.972 -9.374 0.008 1.00 0.00 C ATOM 1780 O TYR A 122 18.497 -9.439 -1.103 1.00 0.00 O ATOM 1781 CB TYR A 122 15.736 -10.291 -0.639 1.00 0.00 C ATOM 1782 CG TYR A 122 16.190 -11.693 -0.299 1.00 0.00 C ATOM 1783 CD1 TYR A 122 16.612 -12.014 0.985 1.00 0.00 C ATOM 1784 CD2 TYR A 122 16.196 -12.695 -1.261 1.00 0.00 C ATOM 1785 CE1 TYR A 122 17.026 -13.293 1.300 1.00 0.00 C ATOM 1786 CE2 TYR A 122 16.608 -13.977 -0.952 1.00 0.00 C ATOM 1787 CZ TYR A 122 17.022 -14.271 0.329 1.00 0.00 C ATOM 1788 OH TYR A 122 17.434 -15.547 0.640 1.00 0.00 O ATOM 0 H TYR A 122 16.278 -7.689 -1.292 1.00 0.00 H new ATOM 0 HA TYR A 122 16.200 -9.286 1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.665 -10.210 -0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 122 15.887 -10.119 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 122 16.616 -11.251 1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 122 15.873 -12.468 -2.266 1.00 0.00 H new ATOM 0 HE1 TYR A 122 17.352 -13.526 2.303 1.00 0.00 H new ATOM 0 HE2 TYR A 122 16.606 -14.745 -1.711 1.00 0.00 H new ATOM 0 HH TYR A 122 17.240 -15.733 1.582 1.00 0.00 H new ATOM 1798 N ASN A 123 18.664 -9.445 1.141 1.00 0.00 N ATOM 1799 CA ASN A 123 20.112 -9.606 1.140 1.00 0.00 C ATOM 1800 C ASN A 123 20.773 -8.523 0.294 1.00 0.00 C ATOM 1801 O ASN A 123 21.617 -8.811 -0.554 1.00 0.00 O ATOM 1802 CB ASN A 123 20.493 -10.989 0.609 1.00 0.00 C ATOM 1803 CG ASN A 123 21.080 -11.880 1.685 1.00 0.00 C ATOM 1804 OD1 ASN A 123 22.297 -11.933 1.869 1.00 0.00 O ATOM 1805 ND2 ASN A 123 20.217 -12.589 2.404 1.00 0.00 N ATOM 0 H ASN A 123 18.245 -9.394 2.070 1.00 0.00 H new ATOM 0 HA ASN A 123 20.467 -9.511 2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 123 19.610 -11.468 0.186 1.00 0.00 H new ATOM 0 HB3 ASN A 123 21.214 -10.878 -0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 123 20.555 -13.207 3.142 1.00 0.00 H new ATOM 0 HD22 ASN A 123 19.217 -12.515 2.218 1.00 0.00 H new ATOM 1812 N ASN A 124 20.375 -7.276 0.527 1.00 0.00 N ATOM 1813 CA ASN A 124 20.921 -6.146 -0.216 1.00 0.00 C ATOM 1814 C ASN A 124 20.620 -6.284 -1.704 1.00 0.00 C ATOM 1815 O ASN A 124 21.291 -5.686 -2.544 1.00 0.00 O ATOM 1816 CB ASN A 124 22.428 -6.037 0.009 1.00 0.00 C ATOM 1817 CG ASN A 124 22.877 -4.608 0.240 1.00 0.00 C ATOM 1818 OD1 ASN A 124 23.875 -4.159 -0.324 1.00 0.00 O ATOM 1819 ND2 ASN A 124 22.140 -3.883 1.075 1.00 0.00 N ATOM 0 H ASN A 124 19.676 -7.023 1.225 1.00 0.00 H new ATOM 0 HA ASN A 124 20.446 -5.236 0.150 1.00 0.00 H new ATOM 0 HB2 ASN A 124 22.709 -6.646 0.868 1.00 0.00 H new ATOM 0 HB3 ASN A 124 22.952 -6.444 -0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 124 22.394 -2.915 1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 124 21.320 -4.295 1.521 1.00 0.00 H new ATOM 1826 N HIS A 125 19.596 -7.070 -2.019 1.00 0.00 N ATOM 1827 CA HIS A 125 19.188 -7.282 -3.401 1.00 0.00 C ATOM 1828 C HIS A 125 17.822 -6.650 -3.654 1.00 0.00 C ATOM 1829 O HIS A 125 16.788 -7.295 -3.485 1.00 0.00 O ATOM 1830 CB HIS A 125 19.140 -8.777 -3.720 1.00 0.00 C ATOM 1831 CG HIS A 125 19.858 -9.144 -4.981 1.00 0.00 C ATOM 1832 ND1 HIS A 125 20.333 -10.414 -5.235 1.00 0.00 N ATOM 1833 CD2 HIS A 125 20.183 -8.399 -6.065 1.00 0.00 C ATOM 1834 CE1 HIS A 125 20.919 -10.434 -6.419 1.00 0.00 C ATOM 1835 NE2 HIS A 125 20.841 -9.225 -6.943 1.00 0.00 N ATOM 0 H HIS A 125 19.032 -7.572 -1.333 1.00 0.00 H new ATOM 0 HA HIS A 125 19.921 -6.808 -4.053 1.00 0.00 H new ATOM 0 HB2 HIS A 125 19.576 -9.331 -2.889 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.099 -9.090 -3.800 1.00 0.00 H new ATOM 0 HD2 HIS A 125 19.965 -7.351 -6.211 1.00 0.00 H new ATOM 0 HE1 HIS A 125 21.383 -11.294 -6.880 1.00 0.00 H new ATOM 0 HE2 HIS A 125 21.210 -8.949 -7.853 1.00 0.00 H new ATOM 1844 N ASN A 126 17.829 -5.380 -4.047 1.00 0.00 N ATOM 1845 CA ASN A 126 16.591 -4.656 -4.314 1.00 0.00 C ATOM 1846 C ASN A 126 15.584 -5.548 -5.037 1.00 0.00 C ATOM 1847 O ASN A 126 15.573 -5.616 -6.266 1.00 0.00 O ATOM 1848 CB ASN A 126 16.876 -3.408 -5.152 1.00 0.00 C ATOM 1849 CG ASN A 126 16.926 -2.147 -4.313 1.00 0.00 C ATOM 1850 OD1 ASN A 126 15.980 -1.358 -4.304 1.00 0.00 O ATOM 1851 ND2 ASN A 126 18.033 -1.953 -3.603 1.00 0.00 N ATOM 0 H ASN A 126 18.677 -4.831 -4.188 1.00 0.00 H new ATOM 0 HA ASN A 126 16.163 -4.354 -3.358 1.00 0.00 H new ATOM 0 HB2 ASN A 126 17.826 -3.532 -5.673 1.00 0.00 H new ATOM 0 HB3 ASN A 126 16.105 -3.303 -5.916 1.00 0.00 H new ATOM 0 HD22 ASN A 126 18.790 -2.635 -3.643 1.00 0.00 H new ATOM 1857 N TYR A 127 14.743 -6.232 -4.268 1.00 0.00 N ATOM 1858 CA TYR A 127 13.736 -7.121 -4.839 1.00 0.00 C ATOM 1859 C TYR A 127 12.393 -6.411 -4.977 1.00 0.00 C ATOM 1860 O TYR A 127 12.074 -5.510 -4.202 1.00 0.00 O ATOM 1861 CB TYR A 127 13.578 -8.371 -3.971 1.00 0.00 C ATOM 1862 CG TYR A 127 14.315 -9.579 -4.506 1.00 0.00 C ATOM 1863 CD1 TYR A 127 13.730 -10.410 -5.454 1.00 0.00 C ATOM 1864 CD2 TYR A 127 15.595 -9.887 -4.064 1.00 0.00 C ATOM 1865 CE1 TYR A 127 14.401 -11.515 -5.945 1.00 0.00 C ATOM 1866 CE2 TYR A 127 16.273 -10.989 -4.550 1.00 0.00 C ATOM 1867 CZ TYR A 127 15.671 -11.799 -5.490 1.00 0.00 C ATOM 1868 OH TYR A 127 16.342 -12.897 -5.977 1.00 0.00 O ATOM 0 H TYR A 127 14.738 -6.188 -3.249 1.00 0.00 H new ATOM 0 HA TYR A 127 14.072 -7.416 -5.833 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.938 -8.152 -2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 127 12.518 -8.611 -3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 127 12.736 -10.189 -5.813 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.069 -9.255 -3.328 1.00 0.00 H new ATOM 0 HE1 TYR A 127 13.933 -12.152 -6.681 1.00 0.00 H new ATOM 0 HE2 TYR A 127 17.268 -11.214 -4.196 1.00 0.00 H new ATOM 0 HH TYR A 127 17.225 -12.955 -5.555 1.00 0.00 H new ATOM 1878 N THR A 128 11.610 -6.823 -5.969 1.00 0.00 N ATOM 1879 CA THR A 128 10.301 -6.227 -6.206 1.00 0.00 C ATOM 1880 C THR A 128 9.315 -7.257 -6.746 1.00 0.00 C ATOM 1881 O THR A 128 8.706 -7.058 -7.798 1.00 0.00 O ATOM 1882 CB THR A 128 10.391 -5.050 -7.196 1.00 0.00 C ATOM 1883 OG1 THR A 128 10.335 -5.535 -8.542 1.00 0.00 O ATOM 1884 CG2 THR A 128 11.677 -4.265 -6.987 1.00 0.00 C ATOM 0 H THR A 128 11.859 -7.567 -6.621 1.00 0.00 H new ATOM 0 HA THR A 128 9.944 -5.858 -5.245 1.00 0.00 H new ATOM 0 HB THR A 128 9.545 -4.387 -7.015 1.00 0.00 H new ATOM 0 HG1 THR A 128 9.439 -5.888 -8.726 1.00 0.00 H new ATOM 0 HG21 THR A 128 11.719 -3.439 -7.697 1.00 0.00 H new ATOM 0 HG22 THR A 128 11.702 -3.872 -5.971 1.00 0.00 H new ATOM 0 HG23 THR A 128 12.533 -4.921 -7.143 1.00 0.00 H new ATOM 1892 N ASP A 129 9.162 -8.355 -6.016 1.00 0.00 N ATOM 1893 CA ASP A 129 8.247 -9.419 -6.414 1.00 0.00 C ATOM 1894 C ASP A 129 8.353 -10.606 -5.467 1.00 0.00 C ATOM 1895 O ASP A 129 9.451 -11.013 -5.091 1.00 0.00 O ATOM 1896 CB ASP A 129 8.537 -9.864 -7.849 1.00 0.00 C ATOM 1897 CG ASP A 129 10.016 -9.815 -8.182 1.00 0.00 C ATOM 1898 OD1 ASP A 129 10.838 -9.948 -7.252 1.00 0.00 O ATOM 1899 OD2 ASP A 129 10.350 -9.644 -9.373 1.00 0.00 O ATOM 0 H ASP A 129 9.660 -8.533 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 129 7.231 -9.028 -6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.168 -10.880 -7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.990 -9.225 -8.542 1.00 0.00 H new ATOM 1904 N CYS A 130 7.204 -11.154 -5.086 1.00 0.00 N ATOM 1905 CA CYS A 130 7.165 -12.293 -4.179 1.00 0.00 C ATOM 1906 C CYS A 130 8.191 -13.344 -4.589 1.00 0.00 C ATOM 1907 O CYS A 130 7.888 -14.258 -5.357 1.00 0.00 O ATOM 1908 CB CYS A 130 5.765 -12.909 -4.157 1.00 0.00 C ATOM 1909 SG CYS A 130 4.580 -12.022 -3.092 1.00 0.00 S ATOM 0 H CYS A 130 6.288 -10.827 -5.392 1.00 0.00 H new ATOM 0 HA CYS A 130 7.411 -11.939 -3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.375 -12.935 -5.174 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.839 -13.942 -3.818 1.00 0.00 H new ATOM 1914 N THR A 131 9.408 -13.203 -4.076 1.00 0.00 N ATOM 1915 CA THR A 131 10.486 -14.133 -4.391 1.00 0.00 C ATOM 1916 C THR A 131 10.368 -15.417 -3.579 1.00 0.00 C ATOM 1917 O THR A 131 9.596 -15.492 -2.622 1.00 0.00 O ATOM 1918 CB THR A 131 11.866 -13.501 -4.130 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.902 -14.383 -4.578 1.00 0.00 O ATOM 1920 CG2 THR A 131 12.054 -13.201 -2.651 1.00 0.00 C ATOM 0 H THR A 131 9.673 -12.452 -3.439 1.00 0.00 H new ATOM 0 HA THR A 131 10.394 -14.370 -5.451 1.00 0.00 H new ATOM 0 HB THR A 131 11.922 -12.564 -4.684 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.589 -13.867 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 131 13.036 -12.755 -2.492 1.00 0.00 H new ATOM 0 HG22 THR A 131 11.282 -12.506 -2.320 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.979 -14.126 -2.080 1.00 0.00 H new ATOM 1928 N SER A 132 11.140 -16.427 -3.968 1.00 0.00 N ATOM 1929 CA SER A 132 11.126 -17.712 -3.278 1.00 0.00 C ATOM 1930 C SER A 132 12.533 -18.295 -3.188 1.00 0.00 C ATOM 1931 O SER A 132 12.707 -19.512 -3.117 1.00 0.00 O ATOM 1932 CB SER A 132 10.203 -18.694 -4.002 1.00 0.00 C ATOM 1933 OG SER A 132 9.931 -18.259 -5.324 1.00 0.00 O ATOM 0 H SER A 132 11.784 -16.380 -4.758 1.00 0.00 H new ATOM 0 HA SER A 132 10.752 -17.549 -2.267 1.00 0.00 H new ATOM 0 HB2 SER A 132 10.666 -19.681 -4.028 1.00 0.00 H new ATOM 0 HB3 SER A 132 9.269 -18.795 -3.450 1.00 0.00 H new ATOM 0 HG SER A 132 9.780 -19.037 -5.900 1.00 0.00 H new ATOM 1939 N GLU A 133 13.533 -17.419 -3.190 1.00 0.00 N ATOM 1940 CA GLU A 133 14.924 -17.849 -3.109 1.00 0.00 C ATOM 1941 C GLU A 133 15.105 -18.901 -2.020 1.00 0.00 C ATOM 1942 O GLU A 133 15.048 -18.593 -0.829 1.00 0.00 O ATOM 1943 CB GLU A 133 15.834 -16.651 -2.832 1.00 0.00 C ATOM 1944 CG GLU A 133 16.857 -16.399 -3.927 1.00 0.00 C ATOM 1945 CD GLU A 133 17.417 -17.682 -4.509 1.00 0.00 C ATOM 1946 OE1 GLU A 133 17.939 -18.508 -3.732 1.00 0.00 O ATOM 1947 OE2 GLU A 133 17.332 -17.861 -5.743 1.00 0.00 O ATOM 0 H GLU A 133 13.406 -16.409 -3.247 1.00 0.00 H new ATOM 0 HA GLU A 133 15.198 -18.292 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 133 15.219 -15.759 -2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 133 16.356 -16.812 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 133 16.395 -15.815 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 133 17.674 -15.800 -3.525 1.00 0.00 H new ATOM 1954 N GLY A 134 15.321 -20.145 -2.436 1.00 0.00 N ATOM 1955 CA GLY A 134 15.507 -21.225 -1.483 1.00 0.00 C ATOM 1956 C GLY A 134 14.192 -21.738 -0.929 1.00 0.00 C ATOM 1957 O GLY A 134 14.159 -22.749 -0.228 1.00 0.00 O ATOM 0 H GLY A 134 15.371 -20.425 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 134 16.039 -22.044 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 134 16.134 -20.878 -0.662 1.00 0.00 H new ATOM 1961 N ARG A 135 13.107 -21.039 -1.246 1.00 0.00 N ATOM 1962 CA ARG A 135 11.784 -21.425 -0.777 1.00 0.00 C ATOM 1963 C ARG A 135 11.112 -22.374 -1.765 1.00 0.00 C ATOM 1964 O ARG A 135 10.673 -21.959 -2.838 1.00 0.00 O ATOM 1965 CB ARG A 135 10.919 -20.181 -0.575 1.00 0.00 C ATOM 1966 CG ARG A 135 10.787 -19.766 0.879 1.00 0.00 C ATOM 1967 CD ARG A 135 9.561 -20.391 1.519 1.00 0.00 C ATOM 1968 NE ARG A 135 9.885 -21.618 2.240 1.00 0.00 N ATOM 1969 CZ ARG A 135 9.175 -22.081 3.263 1.00 0.00 C ATOM 1970 NH1 ARG A 135 8.109 -21.417 3.688 1.00 0.00 N ATOM 1971 NH2 ARG A 135 9.532 -23.208 3.861 1.00 0.00 N ATOM 0 H ARG A 135 13.120 -20.201 -1.827 1.00 0.00 H new ATOM 0 HA ARG A 135 11.895 -21.944 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 135 11.346 -19.355 -1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 135 9.926 -20.368 -0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 135 11.680 -20.066 1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 135 10.721 -18.680 0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 135 9.107 -19.677 2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 135 8.821 -20.608 0.749 1.00 0.00 H new ATOM 0 HE ARG A 135 10.703 -22.150 1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 135 7.833 -20.549 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 135 7.565 -21.774 4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 135 10.352 -23.720 3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 135 8.987 -23.563 4.646 1.00 0.00 H new ATOM 1985 N ARG A 136 11.036 -23.648 -1.396 1.00 0.00 N ATOM 1986 CA ARG A 136 10.419 -24.656 -2.249 1.00 0.00 C ATOM 1987 C ARG A 136 9.100 -25.140 -1.656 1.00 0.00 C ATOM 1988 O ARG A 136 8.761 -26.320 -1.752 1.00 0.00 O ATOM 1989 CB ARG A 136 11.369 -25.839 -2.445 1.00 0.00 C ATOM 1990 CG ARG A 136 11.623 -26.180 -3.905 1.00 0.00 C ATOM 1991 CD ARG A 136 13.013 -26.758 -4.108 1.00 0.00 C ATOM 1992 NE ARG A 136 13.366 -26.853 -5.522 1.00 0.00 N ATOM 1993 CZ ARG A 136 14.488 -27.411 -5.965 1.00 0.00 C ATOM 1994 NH1 ARG A 136 15.360 -27.923 -5.107 1.00 0.00 N ATOM 1995 NH2 ARG A 136 14.737 -27.459 -7.266 1.00 0.00 N ATOM 0 H ARG A 136 11.394 -24.007 -0.511 1.00 0.00 H new ATOM 0 HA ARG A 136 10.214 -24.199 -3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 136 12.320 -25.614 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 136 10.955 -26.714 -1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.876 -26.896 -4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 136 11.508 -25.284 -4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 136 13.744 -26.134 -3.593 1.00 0.00 H new ATOM 0 HD3 ARG A 136 13.064 -27.748 -3.655 1.00 0.00 H new ATOM 0 HE ARG A 136 12.715 -26.470 -6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 136 15.170 -27.889 -4.105 1.00 0.00 H new ATOM 0 HH12 ARG A 136 16.221 -28.351 -5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 136 14.067 -27.067 -7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 136 15.598 -27.887 -7.605 1.00 0.00 H new ATOM 2009 N ASP A 137 8.359 -24.224 -1.044 1.00 0.00 N ATOM 2010 CA ASP A 137 7.076 -24.559 -0.436 1.00 0.00 C ATOM 2011 C ASP A 137 5.920 -24.055 -1.293 1.00 0.00 C ATOM 2012 O ASP A 137 4.853 -23.721 -0.779 1.00 0.00 O ATOM 2013 CB ASP A 137 6.979 -23.964 0.970 1.00 0.00 C ATOM 2014 CG ASP A 137 8.198 -24.273 1.816 1.00 0.00 C ATOM 2015 OD1 ASP A 137 9.322 -23.935 1.386 1.00 0.00 O ATOM 2016 OD2 ASP A 137 8.030 -24.847 2.914 1.00 0.00 O ATOM 0 H ASP A 137 8.624 -23.243 -0.955 1.00 0.00 H new ATOM 0 HA ASP A 137 7.010 -25.645 -0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.856 -22.883 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 137 6.089 -24.353 1.465 1.00 0.00 H new ATOM 2021 N ASN A 138 6.140 -24.001 -2.603 1.00 0.00 N ATOM 2022 CA ASN A 138 5.116 -23.536 -3.530 1.00 0.00 C ATOM 2023 C ASN A 138 4.337 -22.367 -2.936 1.00 0.00 C ATOM 2024 O ASN A 138 3.107 -22.390 -2.886 1.00 0.00 O ATOM 2025 CB ASN A 138 4.159 -24.677 -3.881 1.00 0.00 C ATOM 2026 CG ASN A 138 3.672 -24.605 -5.315 1.00 0.00 C ATOM 2027 OD1 ASN A 138 2.486 -24.402 -5.571 1.00 0.00 O ATOM 2028 ND2 ASN A 138 4.590 -24.771 -6.260 1.00 0.00 N ATOM 0 H ASN A 138 7.018 -24.273 -3.046 1.00 0.00 H new ATOM 0 HA ASN A 138 5.611 -23.195 -4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.661 -25.631 -3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 138 3.302 -24.649 -3.208 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.322 -24.732 -7.243 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.563 -24.937 -6.002 1.00 0.00 H new ATOM 2035 N MET A 139 5.061 -21.348 -2.487 1.00 0.00 N ATOM 2036 CA MET A 139 4.438 -20.169 -1.895 1.00 0.00 C ATOM 2037 C MET A 139 5.425 -19.008 -1.833 1.00 0.00 C ATOM 2038 O MET A 139 5.830 -18.584 -0.750 1.00 0.00 O ATOM 2039 CB MET A 139 3.921 -20.491 -0.492 1.00 0.00 C ATOM 2040 CG MET A 139 4.935 -21.211 0.380 1.00 0.00 C ATOM 2041 SD MET A 139 4.162 -22.309 1.583 1.00 0.00 S ATOM 2042 CE MET A 139 5.369 -22.267 2.905 1.00 0.00 C ATOM 0 H MET A 139 6.080 -21.314 -2.521 1.00 0.00 H new ATOM 0 HA MET A 139 3.598 -19.875 -2.525 1.00 0.00 H new ATOM 0 HB2 MET A 139 3.626 -19.564 -0.001 1.00 0.00 H new ATOM 0 HB3 MET A 139 3.025 -21.106 -0.576 1.00 0.00 H new ATOM 0 HG2 MET A 139 5.608 -21.789 -0.254 1.00 0.00 H new ATOM 0 HG3 MET A 139 5.545 -20.475 0.905 1.00 0.00 H new ATOM 0 HE1 MET A 139 5.797 -23.261 3.039 1.00 0.00 H new ATOM 0 HE2 MET A 139 6.161 -21.562 2.652 1.00 0.00 H new ATOM 0 HE3 MET A 139 4.885 -21.953 3.830 1.00 0.00 H new ATOM 2052 N LYS A 140 5.806 -18.498 -2.999 1.00 0.00 N ATOM 2053 CA LYS A 140 6.745 -17.385 -3.079 1.00 0.00 C ATOM 2054 C LYS A 140 6.528 -16.408 -1.928 1.00 0.00 C ATOM 2055 O LYS A 140 5.395 -16.042 -1.619 1.00 0.00 O ATOM 2056 CB LYS A 140 6.593 -16.659 -4.416 1.00 0.00 C ATOM 2057 CG LYS A 140 7.722 -16.941 -5.393 1.00 0.00 C ATOM 2058 CD LYS A 140 7.428 -16.361 -6.767 1.00 0.00 C ATOM 2059 CE LYS A 140 8.702 -15.925 -7.473 1.00 0.00 C ATOM 2060 NZ LYS A 140 8.457 -14.801 -8.418 1.00 0.00 N ATOM 0 H LYS A 140 5.478 -18.838 -3.903 1.00 0.00 H new ATOM 0 HA LYS A 140 7.755 -17.787 -3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 140 5.647 -16.950 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 140 6.541 -15.586 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 140 8.650 -16.518 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 140 7.872 -18.017 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 140 6.911 -17.104 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 140 6.756 -15.508 -6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 140 9.442 -15.622 -6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 140 9.123 -16.771 -8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 9.350 -14.534 -8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 7.770 -15.098 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 8.079 -13.985 -7.896 1.00 0.00 H new ATOM 2074 N TRP A 141 7.621 -15.992 -1.297 1.00 0.00 N ATOM 2075 CA TRP A 141 7.545 -15.059 -0.177 1.00 0.00 C ATOM 2076 C TRP A 141 7.854 -13.635 -0.628 1.00 0.00 C ATOM 2077 O TRP A 141 8.471 -13.420 -1.674 1.00 0.00 O ATOM 2078 CB TRP A 141 8.508 -15.480 0.934 1.00 0.00 C ATOM 2079 CG TRP A 141 9.936 -15.562 0.489 1.00 0.00 C ATOM 2080 CD1 TRP A 141 10.541 -16.611 -0.142 1.00 0.00 C ATOM 2081 CD2 TRP A 141 10.941 -14.554 0.646 1.00 0.00 C ATOM 2082 NE1 TRP A 141 11.861 -16.317 -0.387 1.00 0.00 N ATOM 2083 CE2 TRP A 141 12.131 -15.059 0.086 1.00 0.00 C ATOM 2084 CE3 TRP A 141 10.952 -13.273 1.204 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 13.316 -14.328 0.071 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 12.129 -12.548 1.187 1.00 0.00 C ATOM 2087 CH2 TRP A 141 13.296 -13.077 0.624 1.00 0.00 C ATOM 0 H TRP A 141 8.567 -16.285 -1.540 1.00 0.00 H new ATOM 0 HA TRP A 141 6.526 -15.081 0.211 1.00 0.00 H new ATOM 0 HB2 TRP A 141 8.433 -14.770 1.757 1.00 0.00 H new ATOM 0 HB3 TRP A 141 8.200 -16.451 1.322 1.00 0.00 H new ATOM 0 HD1 TRP A 141 10.053 -17.537 -0.410 1.00 0.00 H new ATOM 0 HE1 TRP A 141 12.531 -16.934 -0.846 1.00 0.00 H new ATOM 0 HE3 TRP A 141 10.057 -12.856 1.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 14.218 -14.734 -0.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 12.148 -11.557 1.615 1.00 0.00 H new ATOM 0 HH2 TRP A 141 14.199 -12.485 0.626 1.00 0.00 H new ATOM 2098 N CYS A 142 7.419 -12.665 0.169 1.00 0.00 N ATOM 2099 CA CYS A 142 7.642 -11.257 -0.141 1.00 0.00 C ATOM 2100 C CYS A 142 8.153 -10.507 1.085 1.00 0.00 C ATOM 2101 O CYS A 142 8.037 -10.986 2.214 1.00 0.00 O ATOM 2102 CB CYS A 142 6.343 -10.621 -0.651 1.00 0.00 C ATOM 2103 SG CYS A 142 6.198 -8.829 -0.345 1.00 0.00 S ATOM 0 H CYS A 142 6.909 -12.828 1.037 1.00 0.00 H new ATOM 0 HA CYS A 142 8.400 -11.190 -0.921 1.00 0.00 H new ATOM 0 HB2 CYS A 142 6.264 -10.800 -1.723 1.00 0.00 H new ATOM 0 HB3 CYS A 142 5.499 -11.125 -0.181 1.00 0.00 H new ATOM 2108 N GLY A 143 8.716 -9.326 0.856 1.00 0.00 N ATOM 2109 CA GLY A 143 9.232 -8.523 1.948 1.00 0.00 C ATOM 2110 C GLY A 143 8.171 -7.626 2.555 1.00 0.00 C ATOM 2111 O GLY A 143 7.669 -6.712 1.899 1.00 0.00 O ATOM 0 H GLY A 143 8.824 -8.910 -0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 143 9.635 -9.179 2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.059 -7.911 1.587 1.00 0.00 H new ATOM 2115 N THR A 144 7.827 -7.888 3.812 1.00 0.00 N ATOM 2116 CA THR A 144 6.820 -7.096 4.507 1.00 0.00 C ATOM 2117 C THR A 144 7.373 -5.734 4.914 1.00 0.00 C ATOM 2118 O THR A 144 6.667 -4.919 5.508 1.00 0.00 O ATOM 2119 CB THR A 144 6.305 -7.826 5.761 1.00 0.00 C ATOM 2120 OG1 THR A 144 7.221 -7.642 6.848 1.00 0.00 O ATOM 2121 CG2 THR A 144 6.131 -9.311 5.485 1.00 0.00 C ATOM 0 H THR A 144 8.230 -8.641 4.369 1.00 0.00 H new ATOM 0 HA THR A 144 5.993 -6.953 3.812 1.00 0.00 H new ATOM 0 HB THR A 144 5.336 -7.404 6.029 1.00 0.00 H new ATOM 0 HG1 THR A 144 7.023 -8.290 7.556 1.00 0.00 H new ATOM 0 HG21 THR A 144 5.766 -9.808 6.384 1.00 0.00 H new ATOM 0 HG22 THR A 144 5.412 -9.449 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 144 7.089 -9.742 5.196 1.00 0.00 H new ATOM 2129 N THR A 145 8.639 -5.493 4.589 1.00 0.00 N ATOM 2130 CA THR A 145 9.286 -4.230 4.917 1.00 0.00 C ATOM 2131 C THR A 145 10.270 -3.822 3.826 1.00 0.00 C ATOM 2132 O THR A 145 10.815 -4.671 3.121 1.00 0.00 O ATOM 2133 CB THR A 145 10.032 -4.315 6.263 1.00 0.00 C ATOM 2134 OG1 THR A 145 11.299 -4.960 6.082 1.00 0.00 O ATOM 2135 CG2 THR A 145 9.210 -5.081 7.291 1.00 0.00 C ATOM 0 H THR A 145 9.237 -6.158 4.098 1.00 0.00 H new ATOM 0 HA THR A 145 8.500 -3.479 4.994 1.00 0.00 H new ATOM 0 HB THR A 145 10.190 -3.301 6.630 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.978 -4.505 6.623 1.00 0.00 H new ATOM 0 HG21 THR A 145 9.757 -5.128 8.233 1.00 0.00 H new ATOM 0 HG22 THR A 145 8.259 -4.572 7.449 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.025 -6.092 6.928 1.00 0.00 H new ATOM 2143 N GLN A 146 10.491 -2.518 3.688 1.00 0.00 N ATOM 2144 CA GLN A 146 11.410 -1.998 2.679 1.00 0.00 C ATOM 2145 C GLN A 146 12.598 -2.936 2.487 1.00 0.00 C ATOM 2146 O GLN A 146 13.146 -3.044 1.390 1.00 0.00 O ATOM 2147 CB GLN A 146 11.901 -0.604 3.077 1.00 0.00 C ATOM 2148 CG GLN A 146 13.112 -0.624 3.996 1.00 0.00 C ATOM 2149 CD GLN A 146 14.414 -0.408 3.249 1.00 0.00 C ATOM 2150 OE1 GLN A 146 14.420 -0.197 2.036 1.00 0.00 O ATOM 2151 NE2 GLN A 146 15.526 -0.462 3.972 1.00 0.00 N ATOM 0 H GLN A 146 10.047 -1.801 4.262 1.00 0.00 H new ATOM 0 HA GLN A 146 10.871 -1.929 1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.149 -0.044 2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 146 11.090 -0.069 3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 146 13.000 0.150 4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 146 13.151 -1.580 4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 146 15.474 -0.639 4.975 1.00 0.00 H new ATOM 0 HE22 GLN A 146 16.432 -0.326 3.524 1.00 0.00 H new ATOM 2160 N ASN A 147 12.989 -3.613 3.561 1.00 0.00 N ATOM 2161 CA ASN A 147 14.110 -4.544 3.514 1.00 0.00 C ATOM 2162 C ASN A 147 13.781 -5.826 4.273 1.00 0.00 C ATOM 2163 O ASN A 147 13.715 -5.836 5.501 1.00 0.00 O ATOM 2164 CB ASN A 147 15.365 -3.890 4.096 1.00 0.00 C ATOM 2165 CG ASN A 147 16.040 -2.954 3.113 1.00 0.00 C ATOM 2166 OD1 ASN A 147 15.436 -2.530 2.128 1.00 0.00 O ATOM 2167 ND2 ASN A 147 17.299 -2.626 3.376 1.00 0.00 N ATOM 0 H ASN A 147 12.545 -3.534 4.476 1.00 0.00 H new ATOM 0 HA ASN A 147 14.298 -4.802 2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 147 15.098 -3.336 4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 147 16.069 -4.666 4.396 1.00 0.00 H new ATOM 0 HD21 ASN A 147 17.804 -1.999 2.750 1.00 0.00 H new ATOM 0 HD22 ASN A 147 17.761 -3.001 4.204 1.00 0.00 H new ATOM 2174 N TYR A 148 13.568 -6.908 3.528 1.00 0.00 N ATOM 2175 CA TYR A 148 13.240 -8.196 4.126 1.00 0.00 C ATOM 2176 C TYR A 148 14.345 -8.654 5.074 1.00 0.00 C ATOM 2177 O TYR A 148 14.087 -8.971 6.236 1.00 0.00 O ATOM 2178 CB TYR A 148 13.014 -9.242 3.030 1.00 0.00 C ATOM 2179 CG TYR A 148 13.257 -10.667 3.476 1.00 0.00 C ATOM 2180 CD1 TYR A 148 12.534 -11.222 4.524 1.00 0.00 C ATOM 2181 CD2 TYR A 148 14.208 -11.457 2.845 1.00 0.00 C ATOM 2182 CE1 TYR A 148 12.754 -12.524 4.931 1.00 0.00 C ATOM 2183 CE2 TYR A 148 14.435 -12.759 3.245 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.706 -13.289 4.289 1.00 0.00 C ATOM 2185 OH TYR A 148 13.929 -14.586 4.690 1.00 0.00 O ATOM 0 H TYR A 148 13.617 -6.917 2.509 1.00 0.00 H new ATOM 0 HA TYR A 148 12.323 -8.082 4.704 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.990 -9.156 2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 148 13.671 -9.019 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 148 11.788 -10.626 5.029 1.00 0.00 H new ATOM 0 HD2 TYR A 148 14.781 -11.046 2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 148 12.183 -12.941 5.748 1.00 0.00 H new ATOM 0 HE2 TYR A 148 15.179 -13.359 2.743 1.00 0.00 H new ATOM 0 HH TYR A 148 14.630 -14.984 4.134 1.00 0.00 H new ATOM 2195 N ASP A 149 15.576 -8.682 4.574 1.00 0.00 N ATOM 2196 CA ASP A 149 16.718 -9.098 5.381 1.00 0.00 C ATOM 2197 C ASP A 149 17.043 -8.054 6.446 1.00 0.00 C ATOM 2198 O ASP A 149 17.919 -8.262 7.285 1.00 0.00 O ATOM 2199 CB ASP A 149 17.940 -9.331 4.490 1.00 0.00 C ATOM 2200 CG ASP A 149 18.476 -8.044 3.895 1.00 0.00 C ATOM 2201 OD1 ASP A 149 17.938 -7.602 2.858 1.00 0.00 O ATOM 2202 OD2 ASP A 149 19.432 -7.478 4.465 1.00 0.00 O ATOM 0 H ASP A 149 15.808 -8.422 3.615 1.00 0.00 H new ATOM 0 HA ASP A 149 16.457 -10.031 5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 149 18.725 -9.813 5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 149 17.674 -10.017 3.686 1.00 0.00 H new ATOM 2207 N ALA A 150 16.330 -6.933 6.407 1.00 0.00 N ATOM 2208 CA ALA A 150 16.541 -5.859 7.368 1.00 0.00 C ATOM 2209 C ALA A 150 15.733 -6.100 8.637 1.00 0.00 C ATOM 2210 O ALA A 150 16.209 -5.853 9.746 1.00 0.00 O ATOM 2211 CB ALA A 150 16.166 -4.521 6.749 1.00 0.00 C ATOM 0 H ALA A 150 15.601 -6.746 5.719 1.00 0.00 H new ATOM 0 HA ALA A 150 17.597 -5.841 7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 150 16.328 -3.725 7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 150 16.785 -4.340 5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 150 15.116 -4.537 6.456 1.00 0.00 H new ATOM 2217 N ASP A 151 14.508 -6.586 8.467 1.00 0.00 N ATOM 2218 CA ASP A 151 13.633 -6.864 9.597 1.00 0.00 C ATOM 2219 C ASP A 151 13.459 -8.366 9.795 1.00 0.00 C ATOM 2220 O ASP A 151 13.093 -8.822 10.879 1.00 0.00 O ATOM 2221 CB ASP A 151 12.269 -6.204 9.386 1.00 0.00 C ATOM 2222 CG ASP A 151 12.141 -4.888 10.130 1.00 0.00 C ATOM 2223 OD1 ASP A 151 12.097 -4.913 11.377 1.00 0.00 O ATOM 2224 OD2 ASP A 151 12.086 -3.833 9.464 1.00 0.00 O ATOM 0 H ASP A 151 14.100 -6.795 7.556 1.00 0.00 H new ATOM 0 HA ASP A 151 14.095 -6.450 10.493 1.00 0.00 H new ATOM 0 HB2 ASP A 151 12.112 -6.033 8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 151 11.484 -6.884 9.718 1.00 0.00 H new ATOM 2229 N GLN A 152 13.726 -9.130 8.742 1.00 0.00 N ATOM 2230 CA GLN A 152 13.599 -10.582 8.799 1.00 0.00 C ATOM 2231 C GLN A 152 12.135 -11.000 8.869 1.00 0.00 C ATOM 2232 O GLN A 152 11.783 -11.949 9.570 1.00 0.00 O ATOM 2233 CB GLN A 152 14.358 -11.134 10.009 1.00 0.00 C ATOM 2234 CG GLN A 152 14.758 -12.592 9.862 1.00 0.00 C ATOM 2235 CD GLN A 152 15.954 -12.780 8.950 1.00 0.00 C ATOM 2236 OE1 GLN A 152 16.942 -12.053 9.044 1.00 0.00 O ATOM 2237 NE2 GLN A 152 15.868 -13.760 8.057 1.00 0.00 N ATOM 0 H GLN A 152 14.032 -8.769 7.839 1.00 0.00 H new ATOM 0 HA GLN A 152 14.031 -10.995 7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 152 15.254 -10.534 10.170 1.00 0.00 H new ATOM 0 HB3 GLN A 152 13.737 -11.024 10.898 1.00 0.00 H new ATOM 0 HG2 GLN A 152 14.988 -13.003 10.845 1.00 0.00 H new ATOM 0 HG3 GLN A 152 13.914 -13.159 9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 152 15.029 -14.339 8.014 1.00 0.00 H new ATOM 0 HE22 GLN A 152 16.641 -13.934 7.414 1.00 0.00 H new ATOM 2246 N LYS A 153 11.285 -10.286 8.139 1.00 0.00 N ATOM 2247 CA LYS A 153 9.857 -10.584 8.118 1.00 0.00 C ATOM 2248 C LYS A 153 9.385 -10.893 6.702 1.00 0.00 C ATOM 2249 O LYS A 153 9.215 -9.992 5.881 1.00 0.00 O ATOM 2250 CB LYS A 153 9.061 -9.408 8.687 1.00 0.00 C ATOM 2251 CG LYS A 153 8.110 -9.804 9.805 1.00 0.00 C ATOM 2252 CD LYS A 153 8.182 -8.831 10.969 1.00 0.00 C ATOM 2253 CE LYS A 153 7.142 -9.153 12.030 1.00 0.00 C ATOM 2254 NZ LYS A 153 6.850 -10.611 12.097 1.00 0.00 N ATOM 0 H LYS A 153 11.560 -9.497 7.554 1.00 0.00 H new ATOM 0 HA LYS A 153 9.687 -11.464 8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 153 9.756 -8.656 9.061 1.00 0.00 H new ATOM 0 HB3 LYS A 153 8.491 -8.943 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 153 7.090 -9.839 9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 153 8.354 -10.808 10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 153 9.177 -8.865 11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 153 8.029 -7.815 10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 153 7.496 -8.809 13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 153 6.223 -8.608 11.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 6.419 -10.837 13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 6.193 -10.869 11.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 7.734 -11.148 11.988 1.00 0.00 H new ATOM 2268 N PHE A 154 9.174 -12.176 6.422 1.00 0.00 N ATOM 2269 CA PHE A 154 8.720 -12.606 5.106 1.00 0.00 C ATOM 2270 C PHE A 154 7.272 -13.084 5.157 1.00 0.00 C ATOM 2271 O PHE A 154 6.753 -13.410 6.225 1.00 0.00 O ATOM 2272 CB PHE A 154 9.620 -13.722 4.572 1.00 0.00 C ATOM 2273 CG PHE A 154 9.242 -15.089 5.069 1.00 0.00 C ATOM 2274 CD1 PHE A 154 8.096 -15.716 4.606 1.00 0.00 C ATOM 2275 CD2 PHE A 154 10.034 -15.746 5.997 1.00 0.00 C ATOM 2276 CE1 PHE A 154 7.747 -16.973 5.061 1.00 0.00 C ATOM 2277 CE2 PHE A 154 9.689 -17.003 6.456 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.545 -17.617 5.988 1.00 0.00 C ATOM 0 H PHE A 154 9.311 -12.935 7.090 1.00 0.00 H new ATOM 0 HA PHE A 154 8.776 -11.750 4.433 1.00 0.00 H new ATOM 0 HB2 PHE A 154 9.583 -13.717 3.483 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.651 -13.513 4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.469 -15.217 3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 154 10.931 -15.270 6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 154 6.852 -17.452 4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 154 10.314 -17.504 7.180 1.00 0.00 H new ATOM 0 HZ PHE A 154 8.274 -18.599 6.346 1.00 0.00 H new ATOM 2288 N GLY A 155 6.625 -13.121 3.997 1.00 0.00 N ATOM 2289 CA GLY A 155 5.243 -13.558 3.931 1.00 0.00 C ATOM 2290 C GLY A 155 4.902 -14.197 2.600 1.00 0.00 C ATOM 2291 O GLY A 155 5.495 -13.865 1.574 1.00 0.00 O ATOM 0 H GLY A 155 7.033 -12.856 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 155 5.052 -14.271 4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 155 4.586 -12.704 4.100 1.00 0.00 H new ATOM 2295 N PHE A 156 3.940 -15.114 2.614 1.00 0.00 N ATOM 2296 CA PHE A 156 3.520 -15.795 1.396 1.00 0.00 C ATOM 2297 C PHE A 156 2.679 -14.866 0.530 1.00 0.00 C ATOM 2298 O PHE A 156 2.074 -13.920 1.031 1.00 0.00 O ATOM 2299 CB PHE A 156 2.725 -17.056 1.735 1.00 0.00 C ATOM 2300 CG PHE A 156 3.476 -18.027 2.601 1.00 0.00 C ATOM 2301 CD1 PHE A 156 4.850 -18.159 2.485 1.00 0.00 C ATOM 2302 CD2 PHE A 156 2.808 -18.806 3.532 1.00 0.00 C ATOM 2303 CE1 PHE A 156 5.544 -19.051 3.280 1.00 0.00 C ATOM 2304 CE2 PHE A 156 3.496 -19.700 4.330 1.00 0.00 C ATOM 2305 CZ PHE A 156 4.866 -19.822 4.204 1.00 0.00 C ATOM 0 H PHE A 156 3.438 -15.402 3.454 1.00 0.00 H new ATOM 0 HA PHE A 156 4.412 -16.082 0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 156 1.803 -16.769 2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.439 -17.555 0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 156 5.385 -17.558 1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 156 1.737 -18.713 3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 156 6.615 -19.145 3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 156 2.963 -20.302 5.051 1.00 0.00 H new ATOM 0 HZ PHE A 156 5.406 -20.519 4.827 1.00 0.00 H new ATOM 2315 N CYS A 157 2.648 -15.137 -0.770 1.00 0.00 N ATOM 2316 CA CYS A 157 1.884 -14.318 -1.704 1.00 0.00 C ATOM 2317 C CYS A 157 0.458 -14.839 -1.848 1.00 0.00 C ATOM 2318 O CYS A 157 0.190 -16.019 -1.625 1.00 0.00 O ATOM 2319 CB CYS A 157 2.570 -14.294 -3.071 1.00 0.00 C ATOM 2320 SG CYS A 157 2.767 -12.626 -3.777 1.00 0.00 S ATOM 0 H CYS A 157 3.143 -15.918 -1.201 1.00 0.00 H new ATOM 0 HA CYS A 157 1.841 -13.304 -1.307 1.00 0.00 H new ATOM 0 HB2 CYS A 157 3.553 -14.757 -2.980 1.00 0.00 H new ATOM 0 HB3 CYS A 157 1.993 -14.905 -3.766 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.477 -13.955 -2.227 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.887 -14.317 -2.404 1.00 0.00 C ATOM 2327 C PRO A 158 -2.063 -15.515 -3.331 1.00 0.00 C ATOM 2328 O PRO A 158 -1.101 -15.996 -3.931 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.503 -13.064 -3.027 1.00 0.00 C ATOM 2330 CG PRO A 158 -1.616 -11.949 -2.592 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.231 -12.529 -2.511 1.00 0.00 C ATOM 0 HA PRO A 158 -2.353 -14.612 -1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -2.540 -13.140 -4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.526 -12.913 -2.683 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -1.652 -11.122 -3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -1.931 -11.554 -1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.317 -12.393 -3.443 1.00 0.00 H new ATOM 0 HD3 PRO A 158 0.357 -12.058 -1.724 1.00 0.00 H new ATOM 2339 N MET A 159 -3.299 -15.993 -3.443 1.00 0.00 N ATOM 2340 CA MET A 159 -3.601 -17.135 -4.297 1.00 0.00 C ATOM 2341 C MET A 159 -4.842 -16.869 -5.144 1.00 0.00 C ATOM 2342 O MET A 159 -5.941 -16.702 -4.616 1.00 0.00 O ATOM 2343 CB MET A 159 -3.808 -18.392 -3.450 1.00 0.00 C ATOM 2344 CG MET A 159 -3.202 -19.645 -4.062 1.00 0.00 C ATOM 2345 SD MET A 159 -1.593 -20.053 -3.360 1.00 0.00 S ATOM 2346 CE MET A 159 -1.042 -21.326 -4.492 1.00 0.00 C ATOM 0 H MET A 159 -4.106 -15.607 -2.953 1.00 0.00 H new ATOM 0 HA MET A 159 -2.754 -17.291 -4.965 1.00 0.00 H new ATOM 0 HB2 MET A 159 -3.371 -18.232 -2.464 1.00 0.00 H new ATOM 0 HB3 MET A 159 -4.877 -18.549 -3.304 1.00 0.00 H new ATOM 0 HG2 MET A 159 -3.882 -20.483 -3.912 1.00 0.00 H new ATOM 0 HG3 MET A 159 -3.100 -19.506 -5.138 1.00 0.00 H new ATOM 0 HE1 MET A 159 -0.057 -21.681 -4.189 1.00 0.00 H new ATOM 0 HE2 MET A 159 -1.747 -22.157 -4.476 1.00 0.00 H new ATOM 0 HE3 MET A 159 -0.986 -20.917 -5.501 1.00 0.00 H new ATOM 2356 N ALA A 160 -4.658 -16.829 -6.459 1.00 0.00 N ATOM 2357 CA ALA A 160 -5.762 -16.582 -7.379 1.00 0.00 C ATOM 2358 C ALA A 160 -6.873 -17.609 -7.188 1.00 0.00 C ATOM 2359 O ALA A 160 -6.875 -18.292 -6.143 1.00 0.00 O ATOM 2360 CB ALA A 160 -5.265 -16.600 -8.816 1.00 0.00 C ATOM 2361 OXT ALA A 160 -7.735 -17.720 -8.086 1.00 0.00 O ATOM 0 H ALA A 160 -3.754 -16.965 -6.912 1.00 0.00 H new ATOM 0 HA ALA A 160 -6.172 -15.596 -7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 160 -6.100 -16.414 -9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 160 -4.510 -15.825 -8.950 1.00 0.00 H new ATOM 0 HB3 ALA A 160 -4.828 -17.574 -9.038 1.00 0.00 H new TER 2367 ALA A 160 HETATM 2368 C1 NAG A 161 18.171 -0.769 -2.767 1.00 0.00 C HETATM 2369 C2 NAG A 161 19.634 -0.369 -2.695 1.00 0.00 C HETATM 2370 C3 NAG A 161 19.757 0.911 -1.875 1.00 0.00 C HETATM 2371 C4 NAG A 161 18.939 2.048 -2.531 1.00 0.00 C HETATM 2372 C5 NAG A 161 17.443 1.566 -2.598 1.00 0.00 C HETATM 2373 C6 NAG A 161 16.534 2.593 -3.292 1.00 0.00 C HETATM 2374 C7 NAG A 161 21.228 -2.206 -2.838 1.00 0.00 C HETATM 2375 C8 NAG A 161 22.020 -3.263 -2.075 1.00 0.00 C HETATM 2376 N2 NAG A 161 20.447 -1.421 -2.102 1.00 0.00 N HETATM 2377 O3 NAG A 161 21.120 1.295 -1.800 1.00 0.00 O HETATM 2378 O4 NAG A 161 19.098 3.210 -1.726 1.00 0.00 O HETATM 2379 O5 NAG A 161 17.398 0.309 -3.332 1.00 0.00 O HETATM 2380 O6 NAG A 161 17.250 3.179 -4.379 1.00 0.00 O HETATM 2381 O7 NAG A 161 21.318 -2.097 -4.061 1.00 0.00 O HETATM 0 HO6 NAG A 161 16.679 3.835 -4.831 1.00 0.00 H new HETATM 0 HO4 NAG A 161 18.728 3.986 -2.195 1.00 0.00 H new HETATM 0 HO3 NAG A 161 21.180 2.256 -1.615 1.00 0.00 H new HETATM 0 HN2 NAG A 161 20.417 -1.560 -1.092 1.00 0.00 H new HETATM 0 H83 NAG A 161 22.675 -2.776 -1.352 1.00 0.00 H new HETATM 0 H82 NAG A 161 21.331 -3.926 -1.551 1.00 0.00 H new HETATM 0 H81 NAG A 161 22.621 -3.844 -2.775 1.00 0.00 H new HETATM 0 H62 NAG A 161 15.626 2.110 -3.654 1.00 0.00 H new HETATM 0 H61 NAG A 161 16.225 3.363 -2.585 1.00 0.00 H new HETATM 0 H5 NAG A 161 17.076 1.442 -1.579 1.00 0.00 H new HETATM 0 H4 NAG A 161 19.270 2.288 -3.542 1.00 0.00 H new HETATM 0 H3 NAG A 161 19.369 0.727 -0.873 1.00 0.00 H new HETATM 0 H2 NAG A 161 20.000 -0.203 -3.708 1.00 0.00 H new